Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 8/20 | 0.51 |
| ▸ | RXRB | P28702 | 6/20 | 0.51 |
| ▸ | RARB | P10826 | 9/20 | 0.47 |
| ▸ | RARG | P13631 | 9/20 | 0.47 |
| ▸ | RARA | P10276 | 7/20 | 0.47 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.44 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 4/20 | 0.38 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.37 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3541162 | 0.93 | RXRA (0.58) | RXRARXRBRARBRARGRARA | |
| SCHEMBL11215262 | 0.85 | RXRA (0.46) | RXRARXRBRARBRARGRARA | |
| SCHEMBL8732926 | 0.83 | RXRA (0.40) | RXRARXRBRARBRARGRARA | |
| SCHEMBL8735903 | 0.81 | KARS1 (0.40) | RXRARXRBCYP3A4UGT2B7RXRG | |
| SCHEMBL9419032 | 0.81 | RXRA (0.38) | RXRARXRBRARBRARGRARA | |
| SCHEMBL9418955 | 0.80 | KARS1 (0.42) | RXRARXRBCYP3A4RXRG | |
| SCHEMBL31085264 | 0.79 | RXRA (0.41) | RXRARXRBRARBRARGRARA | |
| SCHEMBL31003100 | 0.77 | RXRA (0.40) | RXRARXRBRARBRARGRARA | |
| SCHEMBL3175854 | 0.77 | RXRA (0.57) | RXRARXRBRARBRARGRARA | |
| SCHEMBL9419007 | 0.77 | RXRA (0.35) | RXRARXRBRARBRARGRARA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0315071-B1 | Benzocyclohepten derivatives, their preparation and utilisation for pharmaceutics | HOFFMANN LA ROCHE (CH) | 1994-07-20 | — | — | EP | disclosed |
| EP-0315071-A2 | Benzocyclohepten derivatives, their preparation and utilisation for pharmaceutics | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-10 | — | — | EP | disclosed |