Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | HTR1D | P28221 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9684696 | 0.89 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL9683619 | 0.89 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL9683704 | 0.89 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL9684954 | 0.89 | THRB (0.52) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL9684785 | 0.89 | ADRB2 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL9684731 | 0.89 | ADRB2 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL9683608 | 0.89 | XBP1 (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL9683717 | 0.88 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL9683778 | 0.88 | KDM4E (0.45) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL9683750 | 0.88 | HTR1A (0.43) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5128369-A | Antiallergens, bronchodilator agents | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1992-07-07 | — | — | US | disclosed |
| EP-0404197-A2 | Arylalkylamine derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1990-12-27 | — | — | EP | disclosed |