Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 7/20 | 0.40 |
| ▸ | DRD3 | P35462 | 5/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL27847875 | 0.72 | PTGS1 (0.46) | CYP2C19ALDH1A1KDM4EMAPTMGLL | |
| SCHEMBL4718646 | 0.72 | IDO1 (0.43) | ALDH1A1KDM4EMAPTGRM5 | |
| SCHEMBL4672464 | 0.72 | DRD2 (0.47) | CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27858736 | 0.70 | GRM5 (0.48) | CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4670630 | 0.70 | GRIA1 (0.39) | DRD2DRD3ADRB1ALDH1A1MAPT | |
| SCHEMBL8980842 | 0.69 | ALDH1A1 (0.37) | CYP1A2CYP2C19ALDH1A1MAPTMGLL | |
| SCHEMBL4669279 | 0.69 | NOTUM (0.44) | CYP2C9DRD2DRD3ADRB1NOTUM | |
| SCHEMBL9335994 | 0.68 | MAOA (0.41) | CYP3A4CYP2D6DRD2DRD3ADRB1 | |
| SCHEMBL2749913 | 0.68 | DRD2 (0.41) | CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27351271 | 0.68 | TUBB4A (0.43) | DRD2ALDH1A1KDM4EL3MBTL1NOTUM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0300312-A2 | Substituted 3-aryl pyrroles | BAYER AG (DE) | 1989-01-25 | — | — | EP | disclosed |