Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 16/20 | 0.46 |
| ▸ | RARG | P13631 | 16/20 | 0.46 |
| ▸ | RARA | P10276 | 15/20 | 0.46 |
| ▸ | RXRA | P19793 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9418999 | 1.00 | RARB (0.46) | RARBRARGRARARXRALMNA | |
| SCHEMBL9418984 | 0.96 | RARB (0.44) | RARBRARGRARARXRALMNA | |
| SCHEMBL9418980 | 0.96 | RARB (0.44) | RARBRARGRARARXRALMNA | |
| SCHEMBL9419019 | 0.91 | RARB (0.48) | RARBRARGRARARXRALMNA | |
| SCHEMBL7223039 | 0.91 | RARB (0.48) | RARBRARGRARARXRALMNA | |
| SCHEMBL8456908 | 0.89 | RARB (0.47) | RARBRARGRARARXRALMNA | |
| SCHEMBL8456911 | 0.89 | RARB (0.47) | RARBRARGRARARXRALMNA | |
| SCHEMBL9419050 | 0.87 | HPGD (0.44) | RARBRARGRARALMNACYP1A2 | |
| SCHEMBL9419049 | 0.87 | HPGD (0.44) | RARBRARGRARALMNACYP1A2 | |
| SCHEMBL8458513 | 0.86 | HTT (0.43) | RARBRARGRARARXRALMNA |
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-0315071-B1 | Benzocyclohepten derivatives, their preparation and utilisation for pharmaceutics | HOFFMANN LA ROCHE (CH) | 1994-07-20 | — | — | EP | claimed |