Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19181511 | 0.85 | ALDH1A1 (0.49) | ALDH1A1CYP2C9ALOX12HPGDGAA | |
| SCHEMBL27744186 | 0.82 | ALDH1A1 (0.54) | ALDH1A1CYP2C9ALOX12HPGDGAA | |
| SCHEMBL627478 | 0.82 | ALDH1A1 (0.54) | ALDH1A1CYP2C9ALOX12HPGDGAA | |
| SCHEMBL14396814 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP2C9ALOX12HPGDGAA | |
| SCHEMBL25762576 | 0.76 | ALDH1A1 (0.48) | ALDH1A1CYP2C9ALOX12HPGDGAA | |
| SCHEMBL22368806 | 0.76 | ALDH1A1 (0.55) | ALDH1A1CYP2C9ALOX12HPGDGAA | |
| SCHEMBL10719455 | 0.76 | CYP2C9 (0.51) | ALDH1A1CYP2C9ALOX12HPGDGAA | |
| SCHEMBL6667963 | 0.76 | ALDH1A1 (0.63) | ALDH1A1CYP2C9HPGDGAAMAPT | |
| SCHEMBL9068380 | 0.76 | CYP2C9 (0.51) | ALDH1A1CYP2C9ALOX12HPGDGAA | |
| SCHEMBL6667961 | 0.76 | ALDH1A1 (0.63) | ALDH1A1CYP2C9HPGDGAAMAPT |
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-5017573-A | Serotonin receptor antagonist | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1991-05-21 | — | — | US | disclosed |