Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.97 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.97 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.97 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.97 |
| ▸ | TSHR | P16473 | 1/20 | 0.97 |
| ▸ | THPO | P40225 | 1/20 | 0.97 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.95 |
| ▸ | RAB9A | P51151 | 2/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.60 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.52 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1041116 | 0.99 | TSHR (1.00) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL5943696 | 0.83 | HRH3 (0.73) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL9340439 | 0.82 | ALDH1A1 (0.71) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL7298941 | 0.80 | CYP2D6 (0.68) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL7280163 | 0.79 | CYP2D6 (0.64) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL7299257 | 0.79 | CYP2D6 (0.64) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL5805847 | 0.78 | NR4A2 (0.65) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL501399 | 0.77 | HRH3 (0.69) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL7269463 | 0.76 | CYP2D6 (0.60) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL7269469 | 0.76 | CYP2D6 (0.60) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3223250-A | — | — | None | — | — | JP | disclosed |
| 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 |
| JP-H03223250-A | NEW INDOLE DERIVATIVE | NISSHIN FLOUR MILLING CO LTD | 1991-10-02 | — | — | JP | disclosed |
| EP-0429984-A2 | Indole derivatives | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1991-06-05 | — | — | EP | disclosed |