Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 14/20 | 0.44 |
| ▸ | NR3C2 | P08235 | 7/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6585998 | 0.81 | NR3C1 (0.66) | NR3C1NR3C2PGR | |
| SCHEMBL6582741 | 0.78 | ALDH1A1 (0.39) | HTTALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL476769 | 0.76 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14340546 | 0.72 | NR3C1 (0.71) | NR3C1NR3C2PGRCYP3A4 | |
| SCHEMBL5774836 | 0.72 | NR3C1 (0.43) | NR3C1NR3C2PGR | |
| SCHEMBL6585677 | 0.71 | HSD11B1 (0.44) | NR3C1NR3C2ALDH1A1CYP3A4 | |
| SCHEMBL4817217 | 0.71 | PSEN1 (0.39) | — | |
| SCHEMBL14353045 | 0.69 | ALDH1A1 (0.44) | HTTSMN1; SMN2ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL7405252 | 0.68 | HTT (0.45) | HTTSMN1; SMN2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL14460714 | 0.68 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19 |
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-1133486-B1 | NONSTEROIDAL ANTIINFLAMMATORIES | SCHERING AG (DE) | 2004-12-22 | — | — | EP | disclosed |
| US-6323199-B1 | AROMATIC HETEROCYCLIC HYDROXY AMINES OR AMIDES FOR TREATMENT OF INFLAMMATION | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-11-27 | — | — | US | disclosed |