Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 12/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.70 |
| ▸ | TSHR | P16473 | 3/20 | 0.70 |
| ▸ | LMNA | P02545 | 3/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.70 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.70 |
| ▸ | HTR1A | P08908 | 2/20 | 0.70 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.70 |
| ▸ | DRD2 | P14416 | 2/20 | 0.70 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.70 |
| ▸ | HTR2A | P28223 | 2/20 | 0.70 |
| ▸ | HTR2C | P28335 | 2/20 | 0.70 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.70 |
| ▸ | DRD3 | P35462 | 2/20 | 0.70 |
| ▸ | SCN1A | P35498 | 2/20 | 0.70 |
| ▸ | HTR2B | P41595 | 2/20 | 0.70 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.70 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.70 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL7273704 | 1.00 | ABCB1 (0.70) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| Nexopamil SCHEMBL7265602 | 1.00 | ABCB1 (0.70) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL7266558 | 1.00 | ABCB1 (0.70) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL7272996 | 1.00 | ABCB1 (0.70) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| Nexopamil SCHEMBL1980872 | 1.00 | ABCB1 (0.70) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| Nexopamil SCHEMBL7266251 | 0.99 | MEN1 (0.70) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| Nexopamil SCHEMBL7275300 | 0.99 | MEN1 (0.70) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| Hydrochloric Acid SCHEMBL7267399 | 0.99 | MEN1 (0.70) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| Nexopamil SCHEMBL7272263 | 0.99 | MEN1 (0.70) | ABCB1CYP3A4TSHRLMNAKCNH2 | |
| SCHEMBL7632966 | 0.89 | ABCB1 (0.70) | ABCB1CYP3A4TSHRLMNAKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0271013-B1 | BASIC SUBSTITUTED PHENYL ACETONITRILES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | BASF Aktiengesellschaft (DE) | 1993-06-09 | — | — | EP | disclosed |
| US-4940780-A | CARDIOVASCULAR DISORDERS, ASTHMA, ULCERS | BASF AKTIENGESELLSCHAFT (DE) | 1990-07-10 | — | — | US | disclosed |