Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.59 |
| ▸ | CA2 | P00918 | 4/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | CYP26A1 | O43174 | 4/20 | 0.53 |
| ▸ | RARB | P10826 | 8/20 | 0.51 |
| ▸ | RARG | P13631 | 8/20 | 0.51 |
| ▸ | RARA | P10276 | 7/20 | 0.51 |
| ▸ | RXRA | P19793 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | GMNN | O75496 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9053667 | 0.87 | ALDH1A1 (0.52) | CA1CA2CYP3A4CYP26A1RARB | |
| SCHEMBL9054682 | 0.86 | RARB (0.69) | CA2CYP3A4CYP26A1RARBRARG | |
| SCHEMBL9057905 | 0.84 | CA1 (0.52) | CA1CA2CYP3A4PTGS2PTGS1 | |
| SCHEMBL9055247 | 0.84 | RARB (0.59) | CA1CA2CYP3A4PTGS2PTGS1 | |
| SCHEMBL9053839 | 0.84 | RARB (0.67) | CA1CA2CYP3A4PTGS2PTGS1 | |
| SCHEMBL9058017 | 0.84 | CA1 (0.52) | CA1CA2CYP3A4PTGS2PTGS1 | |
| SCHEMBL1615332 | 0.83 | RARB (0.72) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL1615329 | 0.83 | RARB (0.72) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL1615774 | 0.83 | RARB (0.72) | CYP3A4CYP26A1RARBRARGRARA | |
| SCHEMBL9055499 | 0.83 | CA1 (0.53) | CA1CA2CYP3A4PTGS2PTGS1 |
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-5498755-A | IMINE COMPOUNDS FOR SKIN DISORDERS AND ANTIINFLAMMATORY AGENTS | ALLERGAN, INC. | 1996-03-12 | — | — | US | disclosed |
| WO-1996006070-A1 | DISUBSTITUTED ARYL AND HETEROARYL IMINES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN (US) | 1996-02-29 | — | — | WO | disclosed |