Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TUBB1 | Q9H4B7 | 7/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | STAT3 | P40763 | 2/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | KRAS | P01116 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL147333 | 0.91 | ALDH1A1 (0.47) | TUBB1ALDH1A1TSHRHPGDKDM4E | |
| SCHEMBL16362230 | 0.86 | ALDH1A1 (0.41) | TUBB1ALDH1A1TSHRHPGDKDM4E | |
| SCHEMBL1206935 | 0.84 | ALDH1A1 (0.45) | TUBB1ALDH1A1TSHRHPGDKDM4E | |
| SCHEMBL1515868 | 0.84 | KMT2A (0.44) | TUBB1ALDH1A1TSHRHPGDKDM4E | |
| SCHEMBL31260383 | 0.80 | TUBB4A (0.48) | TUBB1ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL21358358 | 0.80 | ALDH1A1 (0.33) | ALDH1A1HPGDKDM4EHTR1A | |
| SCHEMBL1766183 | 0.80 | TUBB1 (0.50) | TUBB1ALDH1A1TSHRHPGDKDM4E | |
| SCHEMBL29803132 | 0.80 | TUBB1 (0.50) | TUBB1ALDH1A1TSHRHPGDKDM4E | |
| SCHEMBL17893875 | 0.77 | TPMT (0.49) | TUBB1TSHRHSD17B10KRASMAPK1 | |
| SCHEMBL8888034 | 0.77 | ALDH1A1 (0.62) | ALDH1A1TSHRHPGDMAPK1TRIM24 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016109221-A1 | BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-07-07 | — | — | WO | disclosed |
| WO-2016106625-A1 | BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-07-07 | — | — | WO | disclosed |
| US-9283229-B2 | Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors | NIVALIS THERAPEUTICS, INC. (US) | 2016-03-15 | — | — | US | disclosed |
| US-9283213-B2 | Dihydropyridin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors and neurokinin-3 receptor antagonists | NIVALIS THERAPEUTICS, INC. (US) | 2016-03-15 | — | — | US | disclosed |
| EP-2592934-B1 | NOVEL DIHYDROPYRIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS AND NEUROKININ-3 RECEPTOR ANTAGONISTS | NIVALIS THERAPEUTICS INC (US) | 2015-08-26 | — | — | EP | disclosed |
| US-20150224107-A1 | Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors | N30 PHARMACEUTICALS, LLC | 2015-08-13 | — | — | US | disclosed |
| US-9067893-B2 | Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors | NIVALIS THERAPEUTICS, INC. (US) | 2015-06-30 | — | — | US | disclosed |
| US-20150157616-A1 | Novel Dihydropyridin-2(1H)-One Compounds as S-Nitrosoglutathione Reductase Inhibitors and Neurokinin-3 Receptor Antagonists | NIVALIS THERAPEUTICS, INC. | 2015-06-11 | — | — | US | disclosed |
| US-8946434-B2 | Dihydropyridin-2(1H)-one compound as S-nirtosoglutathione reductase inhibitors and neurokinin-3 receptor antagonists | N30 PHARMACEUTICALS, INC. (US) | 2015-02-03 | — | — | US | disclosed |
| US-20140235640-A1 | Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors | N30 PHARMACEUTICALS, INC. (US) | 2014-08-21 | — | — | US | disclosed |
| US-20130096161-A1 | Novel Dihydropyridin-2(1H)-One Compounds as S-Nitrosoglutathione Reductase Inhibitors and Neurokinin-3 Receptor Antagonists | N30 PHARMACEUTICALS, INC. (US) | 2013-04-18 | — | — | US | disclosed |
| US-20120208817-A1 | Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors | N30 PHARMACEUTICALS, LLC (US) | 2012-08-16 | — | — | US | disclosed |
| US-8071587-B2 | (Dihydro)imidazoiso[5,1-A]quinolines | N. V. ORGANON (NL) | 2011-12-06 | — | — | US | disclosed |
| US-8071587-B2 | (Dihydro)imidazoiso[5,1-A]quinolines | N. V. ORGANON (NL) | 2011-12-06 | — | — | US | disclosed |
| US-8071587-B2 | (Dihydro)imidazoiso[5,1-A]quinolines | N. V. ORGANON (NL) | 2011-12-06 | — | — | US | disclosed |
| US-20100324021-A1 | (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES | N.V. ORGANON (NL) | 2010-12-23 | — | — | US | disclosed |
| US-20100324021-A1 | (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES | N.V. ORGANON (NL) | 2010-12-23 | — | — | US | disclosed |
| US-20100324021-A1 | (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES | N.V. ORGANON (NL) | 2010-12-23 | — | — | US | disclosed |
| WO-2010136438-A1 | (DIHYDRO) IMIDAZOISO (5, 1-A) QUINOLINES AS FSH RECEPTOR AGONISTS FOR THE TREATMENT OF FERTILITY DISORDERS | N.V. ORGANON (NL) | 2010-12-02 | — | — | WO | disclosed |
| WO-2010136438-A1 | (DIHYDRO) IMIDAZOISO (5, 1-A) QUINOLINES AS FSH RECEPTOR AGONISTS FOR THE TREATMENT OF FERTILITY DISORDERS | N.V. ORGANON (NL) | 2010-12-02 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140235640-A1 | Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors | QDPR, GSR, CBR1 | TUBB1 2146/4885ALDH1A1 207/4885TSHR 1869/4885 |
| US-20130096161-A1 | Novel Dihydropyridin-2(1H)-One Compounds as S-Nitrosoglutathione Reductase Inhibitors and Neurokinin-3 Receptor Antagonists | QDPR, TACR1, TACR2 | TUBB1 2793/4885ALDH1A1 751/4885TSHR 734/4885 |
| US-20150157616-A1 | Novel Dihydropyridin-2(1H)-One Compounds as S-Nitrosoglutathione Reductase Inhibitors and Neurokinin-3 Receptor Antagonists | QDPR, TACR1, TACR2 | TUBB1 2793/4885ALDH1A1 751/4885TSHR 734/4885 |
| US-20120208817-A1 | Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors | QDPR, GSR, CBR1 | TUBB1 2146/4885ALDH1A1 207/4885TSHR 1869/4885 |
| US-20100324021-A1 | (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES | NQO2, IPO5, SCN5A | TUBB1 291/4885ALDH1A1 89/4885TSHR 2608/4885 |
| US-20150224107-A1 | Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors | QDPR, GSR, CBR1 | TUBB1 2146/4885ALDH1A1 207/4885TSHR 1869/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.