Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.78 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.78 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.78 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.78 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14710313 | 0.88 | CYP1A2 (0.82) | CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1 | |
| SCHEMBL9500170 | 0.88 | CYP1A2 (0.86) | CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1 | |
| SCHEMBL10675936 | 0.88 | CYP1A2 (1.00) | CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1 | |
| SCHEMBL10675727 | 0.87 | CYP1A2 (0.84) | CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1 | |
| SCHEMBL21096489 | 0.85 | CYP1A2 (0.80) | CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1 | |
| SCHEMBL20579814 | 0.85 | SMN1; SMN2 (0.80) | CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1 | |
| SCHEMBL9181491 | 0.84 | NPC1 (0.75) | CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1 | |
| SCHEMBL8912069 | 0.83 | RAB9A (0.76) | CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1 | |
| SCHEMBL20579850 | 0.82 | CYP1A2 (0.75) | CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1 | |
| SCHEMBL9499756 | 0.82 | ALDH1A1 (0.62) | CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5225414-A | SUBSTITUTED AZOLES, A PROCESS FOR THEIR PREPARATION, AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-07-06 | — | — | US | disclosed |