Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GALK1 | P51570 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | SERPINH1 | P50454 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3221813 | 0.76 | ERN1 (0.58) | SERPINH1ABL1ERN1 | |
| SCHEMBL879908 | 0.74 | BACE1 (0.51) | PDE5AALDH1A1CYP1A2CYP2C9TSHR | |
| SCHEMBL7313612 | 0.74 | ALDH1A1 (0.41) | GALK1ALDH1A1TSHRCNR2SERPINH1 | |
| SCHEMBL7313619 | 0.74 | ALDH1A1 (0.41) | GALK1ALDH1A1TSHRCNR2SERPINH1 | |
| SCHEMBL8925030 | 0.73 | CYP1A2 (0.37) | GALK1PDE5AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL8925035 | 0.73 | CYP1A2 (0.37) | GALK1PDE5AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL30810266 | 0.71 | HPGD (0.50) | ALDH1A1SERPINH1ABL1MEN1KMT2A | |
| SCHEMBL10711428 | 0.70 | HMGCR (0.44) | SERPINH1ABL1MEN1KMT2A | |
| SCHEMBL29141103 | 0.69 | CYSLTR2 (0.49) | CNR1ALDH1A1CYP1A2CYP2C9TSHR | |
| SCHEMBL9508795 | 0.69 | CYSLTR2 (0.49) | CNR1ALDH1A1CYP1A2CYP2C9TSHR |
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-5288731-A | Antiemetics, antiserotonine agents | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1994-02-22 | — | — | US | disclosed |
| WO-1992009284-A1 | 2,6-METHANO-2H-1-BENZOXOCINCARBOXAMIDES AS 5-HT3-ANTAGONISTS | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) | 1992-06-11 | — | — | WO | disclosed |