Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 8/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8802499 | 0.92 | LMNA (0.44) | LMNACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL7981878 | 0.84 | LMNA (0.57) | LMNACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL8802939 | 0.81 | LMNA (0.47) | LMNACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL8803102 | 0.80 | TYK2 (0.38) | PTPN11 | |
| SCHEMBL7977490 | 0.80 | LMNA (0.55) | LMNACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL10915061 | 0.74 | PTPN11 (0.41) | PTPN11 | |
| SCHEMBL8976107 | 0.70 | ALDH1A1 (0.42) | CYP1A2CYP2C9CYP2C19ALDH1A1PTPN11 | |
| SCHEMBL7979351 | 0.69 | LMNA (0.80) | LMNACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL7967452 | 0.67 | CYP1A2 (0.55) | LMNACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL8802602 | 0.66 | PTPN11 (0.36) | PTPN11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0778769-A1 | USE OF 5-SUBSTITUTED PYRIDINE AND HEXAHYDROQUINOLINE-3 CARBOXYLIC ACID DERIVATIVES FOR TREATING DISEASES OF THE CENTRAL NERVOUS SYSTEM | BAYER AG (DE) | 1997-06-18 | — | — | EP | claimed |
| WO-1996006610-A1 | USE OF 5-SUBSTITUTED PYRIDINE AND HEXAHYDROQUINOLINE-3 CARBOXYLIC ACID DERIVATIVES FOR TREATING DISEASES OF THE CENTRAL NERVOUS SYSTEM | BAYER AKTIENGESELLSCHAFT (DE) | 1996-03-07 | — | — | WO | claimed |