Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 11/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SCN1A | P35498 | 2/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11490020 | 0.99 | ABCB1 (0.55) | ABCB1CYP2D6CYP1A2ATMCCR1 | |
| SCHEMBL11475983 | 0.91 | MEN1 (0.47) | ABCB1CYP1A2CCR1KCNH2CYP2C19 | |
| SCHEMBL11486208 | 0.88 | MAPT (0.50) | ABCB1KCNH2SCN1ASCN5ASCN9A | |
| SCHEMBL11474394 | 0.86 | KCNH2 (0.58) | CCR1KCNH2SMN1; SMN2 | |
| SCHEMBL11475417 | 0.86 | ABCB1 (0.52) | ABCB1CYP2D6CYP1A2ATMCCR1 | |
| SCHEMBL11474965 | 0.85 | ABCB1 (0.53) | ABCB1CYP2D6CYP1A2ATMCCR1 | |
| Hydrochloric Acid SCHEMBL11489880 | 0.85 | ABCB1 (0.51) | ABCB1CYP2D6CYP1A2ATMCCR1 | |
| SCHEMBL11490809 | 0.85 | MEN1 (0.55) | ABCB1KCNH2SMN1; SMN2 | |
| SCHEMBL11377537 | 0.81 | ADRB1 (0.53) | CYP2D6CYP1A2SCN1AADRB3SMN1; SMN2 | |
| SCHEMBL11475836 | 0.80 | ADRB3 (0.49) | ABCB1ADRB3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4210753-A | TREATMENT OF CARDIAC DISORDERS AND CHRONIC LUNG DISEASE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1980-07-01 | — | — | US | disclosed |