Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | EBP | Q15125 | 3/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL56267 | 0.80 | ATM (0.53) | ATMCYP2D6CYP3A4EBPSIGMAR1 | |
| SCHEMBL10625675 | 0.77 | ATM (0.47) | ATMCYP2D6CYP3A4EBPSIGMAR1 | |
| SCHEMBL9447405 | 0.72 | KIF11 (0.46) | ATMEBPSIGMAR1CYP2C19CYP1A2 | |
| SCHEMBL22458610 | 0.70 | SIGMAR1 (0.40) | CYP2D6CYP3A4SIGMAR1CYP2C19DRD3 | |
| SCHEMBL9447544 | 0.68 | ALDH1A1 (0.48) | ATMCYP2D6EBPSIGMAR1CYP2C19 | |
| SCHEMBL17830453 | 0.68 | TAAR1 (0.54) | CHRM2CHRM1CHRM3KDM4EALDH1A1 | |
| SCHEMBL2898487 | 0.68 | CYP2D6 (0.41) | CYP2D6CYP1A2KDM4EALDH1A1TDP1 | |
| SCHEMBL12000666 | 0.68 | TDP1 (0.43) | CYP2D6CYP2C19CYP1A2CHRM2CHRM1 | |
| SCHEMBL13271382 | 0.67 | CYP2D6 (0.44) | ATMCYP2D6CYP3A4EBPSIGMAR1 | |
| SCHEMBL18194090 | 0.66 | ATM (0.36) | ATMCYP2D6CYP3A4EBPSIGMAR1 |
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-5124326-A | Antiarrhythmic, hypotensive agents; diuretics | ROEHM GMBH CHEMISCHE FABRIK (DE) | 1992-06-23 | — | — | US | disclosed |