Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CASP1 | P29466 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CASP7 | P55210 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8501452 | 0.72 | CYP2D6 (0.35) | CYP2D6KDM4ECASP1ALDH1A1GAA | |
| SCHEMBL809535 | 0.70 | KIF11 (0.41) | CYP2D6KDM4ECASP1ALDH1A1GLA | |
| SCHEMBL6615393 | 0.68 | ACP3 (0.42) | — | |
| SCHEMBL13343323 | 0.68 | ALDH1A1 (0.53) | KDM4ECASP1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL13343320 | 0.67 | MAPT (0.54) | CYP2D6KDM4EALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL9150060 | 0.62 | KDM4E (0.54) | CYP2D6KDM4ECASP1ALDH1A1GLA | |
| SCHEMBL11006053 | 0.62 | KDM4E (0.46) | CYP2D6KDM4ECASP1ALDH1A1GLA | |
| SCHEMBL12633798 | 0.62 | MAOA (0.57) | CYP2D6KDM4ECASP1ALDH1A1GLA | |
| SCHEMBL6614937 | 0.61 | KDM4E (0.44) | CYP2D6KDM4ECASP1ALDH1A1GLA | |
| SCHEMBL6336267 | 0.61 | KDM4E (0.58) | CYP2D6KDM4ECASP1CASP7HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1042294-B1 | HETEROCYCLIC CYTOTOXIC AGENTS | UNIV RUTGERS (US) | 2004-08-11 | — | — | EP | disclosed |
| US-6486167-B1 | Heterocyclic cytotoxic agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2002-11-26 | — | — | US | disclosed |
| US-6140328-A | FOR TREATING TUMOR | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2000-10-31 | — | — | US | disclosed |