Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | EDNRA | P25101 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | OGA | O60502 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4855596 | 0.77 | RAB9A (0.52) | ALDH1A1RAB9AHPGDNPC1 | |
| SCHEMBL3395399 | 0.77 | CACNA2D1 (0.71) | MAPK1SMN1; SMN2OGA | |
| SCHEMBL1694742 | 0.77 | LMNA (0.60) | CYP2D6ALDH1A1TSHRHPGD | |
| Hydrochloric Acid SCHEMBL5883141 | 0.75 | LMNA (0.58) | CYP3A4CYP2D6ALDH1A1TSHRHPGD | |
| SCHEMBL6705049 | 0.75 | KMT2A (0.73) | CYP1A2CYP3A4CYP2D6CYP2C9MAPK1 | |
| SCHEMBL7987319 | 0.75 | MAPK1 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9MAPK1 | |
| SCHEMBL477457 | 0.74 | MAPK1 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C9MAPK1 | |
| SCHEMBL22867902 | 0.74 | HSD17B2 (0.70) | — | |
| SCHEMBL30359682 | 0.74 | HSD17B2 (0.70) | — | |
| SCHEMBL11524088 | 0.74 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9MAPK1 |
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-5030738-A | Synthesis of antiulcer compounds | JANUS FARMACEUTICI S.R.L. (IT) | 1991-07-09 | — | — | US | disclosed |
| EP-0269650-A1 | SYNTHESIS OF ANTIULCER COMPOUNDS | RECORDATI FARMA SRL (IT) | 1988-06-08 | — | — | EP | disclosed |