Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2804989 | 0.98 | ALDH1A1 (0.52) | ALDH1A1TSHRGAASIGMAR1HRH3 | |
| Hydrochloric Acid SCHEMBL6339465 | 0.98 | ALDH1A1 (0.47) | ALDH1A1TSHRGAASIGMAR1HRH3 | |
| SCHEMBL10310285 | 0.94 | SIGMAR1 (0.50) | ALDH1A1TSHRSIGMAR1HRH3 | |
| SCHEMBL10310276 | 0.88 | CA12 (0.50) | ALDH1A1TSHRKDM4E | |
| SCHEMBL8000929 | 0.86 | CA12 (0.53) | ALDH1A1TSHRHRH3KDM4E | |
| Guanethidine SCHEMBL34753 | 0.86 | CA12 (0.53) | ALDH1A1TSHRHRH3KDM4E | |
| SCHEMBL1176628 | 0.85 | SMN1; SMN2 (0.45) | ALDH1A1GAAHPGDDUSP3KDM4E | |
| Guanethidine SCHEMBL15514378 | 0.84 | CA12 (0.52) | ALDH1A1TSHRKDM4E | |
| Guanethidine SCHEMBL22127050 | 0.84 | CA12 (0.52) | ALDH1A1TSHRKDM4E | |
| Guanethidine SCHEMBL3128359 | 0.84 | CA12 (0.52) | ALDH1A1TSHRKDM4E |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10793662-B2 | Nitrogen-containing compounds suitable for use in the production of polyurethanes | EVONIK OPERATIONS GMBH (DE) | 2020-10-06 | — | — | US | disclosed |
| US-20180194889-A1 | NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES | EVONIK OPERATIONS GMBH (DE) | 2018-07-12 | — | — | US | disclosed |
| WO-2016020199-A1 | NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES | EVONIK DEGUSSA GMBH (DE) | 2016-02-11 | — | — | WO | disclosed |
| EP-2379506-B1 | SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS | ARQULE INC (US) | 2015-09-02 | — | — | EP | disclosed |
| EP-1799684-B1 | LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | MILLENNIUM PHARM INC (US) | 2014-12-03 | — | — | EP | disclosed |
| US-8357694-B2 | Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds | ARQULE, INC. (US) | 2013-01-22 | — | — | US | disclosed |
| US-20120178739-A1 | LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120178739-A1 | LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-07-12 | — | — | US | disclosed |
| US-20110039820-A1 | LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-02-17 | — | — | US | disclosed |
| US-20110039820-A1 | LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-02-17 | — | — | US | disclosed |
| US-20100239525-A1 | SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS | ARQULE, INC. (US) | 2010-09-23 | — | — | US | disclosed |
| US-20090105213-A1 | Lactam compounds useful as protein kinase inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2009-04-23 | — | — | US | disclosed |
| US-20090105213-A1 | Lactam compounds useful as protein kinase inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2009-04-23 | — | — | US | disclosed |
| US-7459448-B2 | Lactam compounds useful as protein kinase inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-12-02 | — | — | US | disclosed |
| US-7459448-B2 | Lactam compounds useful as protein kinase inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-12-02 | — | — | US | 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-20120178739-A1 | LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | PRKCI, PIK3CA, AKT1 | ALDH1A1 4635/4885TSHR 4502/4885GAA 974/4885 |
| US-20090105213-A1 | Lactam compounds useful as protein kinase inhibitors | PRKCI, PIK3CA, AKT1 | ALDH1A1 4635/4885TSHR 4502/4885GAA 974/4885 |
| US-20110039820-A1 | LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | PRKCI, PIK3CA, AKT1 | ALDH1A1 4635/4885TSHR 4502/4885GAA 974/4885 |
| US-20180194889-A1 | NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES | NOS2, NOS1, PFAS | ALDH1A1 3217/4885TSHR 4848/4885GAA 3496/4885 |
| US-20100239525-A1 | SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS | NQO1, DPYD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | ALDH1A1 510/4885TSHR 4709/4885GAA 853/4885 |
| US-10793662-B2 | Nitrogen-containing compounds suitable for use in the production of polyurethanes | NOS2, NOS1, PFAS | ALDH1A1 3217/4885TSHR 4848/4885GAA 3496/4885 |
“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.