Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CTSD | P07339 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | NCF1 | P14598 | 1/20 | 0.37 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 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 | |
|---|---|---|---|---|
| SCHEMBL30838560 | 0.78 | NCF1 (0.41) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14424717 | 0.75 | MAPT (0.56) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14424722 | 0.75 | MAPT (0.56) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27216809 | 0.74 | ALDH1A1 (0.46) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14424725 | 0.71 | ALDH1A1 (0.42) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14424724 | 0.71 | ALDH1A1 (0.42) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8329989 | 0.71 | ALDH1A1 (0.50) | ALDH1A1KDM4ECTSDCYP1A2CYP3A4 | |
| SCHEMBL6194805 | 0.71 | ALDH1A1 (0.39) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28195452 | 0.70 | ALDH1A1 (0.52) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21378747 | 0.69 | CYP1A2 (0.55) | ALDH1A1KDM4ECTSDCYP1A2CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1578749-A2 | PYRAZOLOAZEPINE COMPOUNDS AS PHARMACEUTICAL AGENTS | ELI LILLY AND COMPANY (US) | 2005-09-28 | — | — | EP | disclosed |
| WO-2004048381-A2 | PYRAZOLOAZEPINE COMPOUNDS AS PHARMACEUTICAL AGENTS | ELI LILLY AND COMPANY (US) | 2004-06-10 | — | — | WO | disclosed |
| EP-1397364-A1 | NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | ELI LILLY AND COMPANY (US) | 2004-03-17 | — | — | EP | disclosed |
| WO-2002094833-A1 | NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | ELI LILLY AND COMPANY (US) | 2002-11-28 | — | — | WO | disclosed |