Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | THPO | P40225 | 1/20 | 0.54 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.47 |
| ▸ | HTR3B | O95264 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| SCHEMBL7271052 | 0.90 | RAB9A (0.53) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL7270653 | 0.88 | CYP2D6 (0.56) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL7276029 | 0.87 | RAB9A (0.56) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL7278463 | 0.85 | CYP2D6 (0.53) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL7269469 | 0.83 | CYP2D6 (0.60) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL7269463 | 0.83 | CYP2D6 (0.60) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL7271039 | 0.83 | CYP2D6 (0.60) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL7277894 | 0.83 | CYP2D6 (0.62) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL7918881 | 0.80 | CHRNB2 (0.61) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL7918883 | 0.80 | CHRNB2 (0.61) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR |
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-0429984-B1 | Indole derivatives | NISSHIN FLOUR MILLING CO (JP) | 1997-07-23 | — | — | EP | disclosed |
| US-5124324-A | Psychological disorders, 5-hydroxy tryptamine antagonists | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1992-06-23 | — | — | US | disclosed |
| EP-0429984-A2 | Indole derivatives | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1991-06-05 | — | — | EP | disclosed |