Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8062828 | 0.78 | CA12 (0.44) | CA2CYP2C9LMNA | |
| SCHEMBL6890994 | 0.77 | POLB (0.54) | — | |
| SCHEMBL7336195 | 0.77 | PPARG (0.53) | — | |
| SCHEMBL7824860 | 0.73 | ACHE (0.40) | — | |
| SCHEMBL10650291 | 0.72 | CA2 (0.55) | CA2CA5ARYR2 | |
| SCHEMBL13776034 | 0.71 | CYP2C9 (0.50) | CA2CYP2C9CYP3A4CYP2C19LMNA | |
| SCHEMBL23705003 | 0.70 | ALDH1A1 (0.56) | CA2CYP2C9CYP2C19LMNA | |
| SCHEMBL30058901 | 0.70 | ALDH1A1 (0.56) | CA2CYP2C9CYP2C19LMNA | |
| SCHEMBL12915620 | 0.70 | CYP3A4 (0.50) | CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL26967607 | 0.69 | GALR1 (0.48) | CA2CYP2C9CYP3A4LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1144401-A3 | THIOCHROMANOYL CYCLOHEXENONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-11 | — | — | EP | disclosed |
| EP-1144401-A2 | THIOCHROMANOYL CYCLOHEXENONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000035903-A2 | THIOCHROMANOYL CYCLOHEXENONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-06-22 | — | — | WO | disclosed |