Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 10/20 | 0.38 |
| ▸ | RARB | P10826 | 10/20 | 0.38 |
| ▸ | RARG | P13631 | 10/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 7/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5736363 | 0.87 | RARB (0.53) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL5736949 | 0.84 | CYP26A1 (0.39) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL6427644 | 0.81 | RARB (0.47) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL4517591 | 0.74 | RARB (0.41) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL4517593 | 0.73 | RARB (0.39) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL6426143 | 0.68 | RARB (0.46) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL4508295 | 0.67 | RARB (0.38) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL5737254 | 0.67 | RARB (0.67) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL4521595 | 0.66 | RARB (0.36) | RARARARBRARGCYP26A1CYP3A4 | |
| SCHEMBL4521601 | 0.66 | RARB (0.35) | RARARARBRARGCYP26A1CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6855512-B2 | Methods for identifying inhibitors of cytochrome P450RAI | ALLERGAN, INC. (US) | 2005-02-15 | — | — | US | disclosed |
| US-6369261-B1 | CYCLOPROPYLBENZENE DERIVATIVE OF ACIDS OR ESTERS | ALLERGAN SALES, INC. | 2002-04-09 | — | — | US | disclosed |
| US-6369225-B1 | ENZYME INHIBITORS | ALLERGAN SALES, INC. | 2002-04-09 | — | — | US | disclosed |
| US-6303785-B1 | SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES | ALLERGAN SALES, INC. | 2001-10-16 | — | — | US | disclosed |