Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6001657 | 1.00 | CYP1A2 (0.46) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL7654681 | 0.89 | GPR84 (0.43) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL7654677 | 0.89 | GPR84 (0.43) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL10639770 | 0.81 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL10639766 | 0.81 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL4229398 | 0.81 | CYP2C19 (0.48) | CYP1A2CYP2C19CYP2C9CYP2D6TDP1 | |
| SCHEMBL5516425 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL29891134 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL11392253 | 0.80 | CYP1A2 (0.44) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL11392250 | 0.80 | CYP1A2 (0.44) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A |
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-4987132-A | PLATELET ACTIVATING FACTOR ANTAGONISTS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1991-01-22 | — | — | US | disclosed |
| EP-0279681-A2 | Saturated heterocyclic carboxamide derivatives | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1988-08-24 | — | — | EP | disclosed |