Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.43 |
| ▸ | KDM5A | P29375 | 2/20 | 0.43 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10423983 | 1.00 | ALDH1A1 (0.44) | ALDH1A1CYP19A1TBXAS1HTR6BLM | |
| SCHEMBL10092668 | 0.82 | SIGMAR1 (0.49) | CYP19A1TBXAS1HTR6 | |
| SCHEMBL22721447 | 0.81 | CYP19A1 (0.49) | CYP19A1TBXAS1HTT | |
| SCHEMBL598590 | 0.81 | CYP19A1 (0.49) | CYP19A1TBXAS1HTT | |
| SCHEMBL30129841 | 0.81 | CYP19A1 (0.49) | CYP19A1TBXAS1HTT | |
| SCHEMBL31522110 | 0.78 | CYP19A1 (0.49) | ALDH1A1CYP19A1TBXAS1BLMTSHR | |
| SCHEMBL1125535 | 0.78 | CYP19A1 (0.49) | ALDH1A1CYP19A1TBXAS1BLMTSHR | |
| SCHEMBL1566770 | 0.78 | CYP19A1 (0.49) | ALDH1A1CYP19A1TBXAS1BLMTSHR | |
| SCHEMBL7898127 | 0.77 | IDO1 (0.52) | CYP19A1TBXAS1HTR6 | |
| SCHEMBL5477158 | 0.76 | CYP19A1 (0.55) | CYP19A1TBXAS1 |
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-0281283-B1 | HETEROCYCLIC COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-02-10 | — | — | EP | disclosed |
| US-4910212-A | Containing 1,2,4-triazole or imidazole ring | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-03-20 | — | — | US | disclosed |
| EP-0281283-A1 | Heterocyclic compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-09-07 | — | — | EP | disclosed |