Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL26922809 | 0.76 | KMO (0.47) | ALDH1A1KDM4E | |
| SCHEMBL6133961 | 0.75 | GSK3B (0.48) | ALDH1A1TDP1KMT2AL3MBTL1MEN1 | |
| SCHEMBL9192054 | 0.74 | KMT2A (0.46) | ALDH1A1TDP1KMT2AL3MBTL1MEN1 | |
| SCHEMBL9841175 | 0.74 | ALDH1A1 (0.43) | ALDH1A1TDP1KMT2AL3MBTL1MEN1 | |
| SCHEMBL4285053 | 0.74 | GSK3B (0.50) | ALDH1A1TDP1KMT2AL3MBTL1MEN1 | |
| SCHEMBL14466949 | 0.74 | GSK3B (0.52) | ALDH1A1KMT2AL3MBTL1KDM4ENPC1 | |
| SCHEMBL5592402 | 0.73 | TDP1 (0.44) | ALDH1A1TDP1KMT2AL3MBTL1MEN1 | |
| Hydrochloric Acid SCHEMBL9722613 | 0.72 | ALDH1A1 (0.43) | ALDH1A1TDP1KMT2AL3MBTL1MEN1 | |
| SCHEMBL8412256 | 0.71 | ALDH1A1 (0.45) | ALDH1A1TDP1KMT2AL3MBTL1MEN1 | |
| SCHEMBL16870917 | 0.69 | CHRNB2 (0.35) | ALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2709609-B1 | HETEROCYCLIC COMPOUNDS | SHIONOGI & CO (JP) | 2017-10-04 | — | — | EP | disclosed |
| EP-2709609-B1 | HETEROCYCLIC COMPOUNDS | SHIONOGI & CO (JP) | 2017-10-04 | — | — | EP | disclosed |
| US-9156830-B2 | Heterocyclic compounds | SHIONOGI & CO., LTD. (JP) | 2015-10-13 | — | — | US | disclosed |
| US-9156830-B2 | Heterocyclic compounds | SHIONOGI & CO., LTD. (JP) | 2015-10-13 | — | — | US | disclosed |
| US-9156830-B2 | Heterocyclic compounds | SHIONOGI & CO., LTD. (JP) | 2015-10-13 | — | — | US | disclosed |
| US-20140249159-A1 | HETEROCYCLIC COMPOUNDS | PURDUE PHARMA L.P. | 2014-09-04 | — | — | US | disclosed |
| US-20140249159-A1 | HETEROCYCLIC COMPOUNDS | PURDUE PHARMA L.P. | 2014-09-04 | — | — | US | disclosed |
| US-20140249159-A1 | HETEROCYCLIC COMPOUNDS | PURDUE PHARMA L.P. | 2014-09-04 | — | — | US | disclosed |
| WO-2012158844-A1 | HETEROCYCLIC COMPOUNDS | SHIONOGI & CO., LTD. (JP) | 2012-11-22 | — | — | 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 (1 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-20140249159-A1 | HETEROCYCLIC COMPOUNDS | HRH2, UGT1A3, UGT1A1 | ALDH1A1 165/4885TDP1 4608/4885KMT2A 3048/4885 |
“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.