Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.38 |
| ▸ | ERG | P11308 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8095399 | 0.91 | CYP3A4 (0.44) | KDM4EKMT2ACYP2C9 | |
| SCHEMBL8099956 | 0.88 | DRD3 (0.38) | KDM4EDRD3GPBAR1ERGCYP2C9 | |
| SCHEMBL446561 | 0.87 | ALOX12 (0.40) | KMT2ACYP19A1GPBAR1ERG | |
| SCHEMBL8104363 | 0.87 | CYP19A1 (0.39) | KDM4EKMT2AHRH3CYP19A1HTR1A | |
| SCHEMBL8104371 | 0.87 | CYP19A1 (0.39) | KDM4EKMT2AHRH3CYP19A1HTR1A | |
| SCHEMBL8101586 | 0.87 | GPBAR1 (0.35) | GAAGPBAR1ERGCYP2C9 | |
| SCHEMBL8089023 | 0.87 | GPBAR1 (0.36) | DRD3GAAGPBAR1ERGCYP2C9 | |
| SCHEMBL8097934 | 0.86 | KMT2A (0.46) | KDM4EKMT2ACYP19A1 | |
| SCHEMBL8102498 | 0.86 | KDM2B (0.41) | KMT2ADRD3HRH3 | |
| SCHEMBL8095905 | 0.86 | GSK3B (0.38) | HRH3GPBAR1ERGCYP2C9 |
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-6127366-A | ANTICARCINOGENIC OR ANTITUMOR AGENTS | MERCK & CO., INC. (US) | 2000-10-03 | — | — | US | disclosed |
| US-5817678-A | IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC | MERCK & CO., INC. (US) | 1998-10-06 | — | — | US | disclosed |