Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.47 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | PPARG | P37231 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | RARA | P10276 | 4/20 | 0.38 |
| ▸ | RARB | P10826 | 4/20 | 0.38 |
| ▸ | RARG | P13631 | 4/20 | 0.38 |
| ▸ | RXRA | P19793 | 2/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8907823 | 0.90 | CYP3A4 (0.60) | CYP3A4CYP26A1CYP26B1MAOBTDP1 | |
| SCHEMBL8907847 | 0.87 | CYP26A1 (0.55) | CYP3A4CYP26A1CYP26B1TDP1PPARG | |
| SCHEMBL8907801 | 0.86 | CYP26A1 (0.45) | CYP3A4CYP26A1CYP26B1MAOBTDP1 | |
| SCHEMBL8909342 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP26A1CYP26B1MAOBTDP1 | |
| SCHEMBL9263958 | 0.84 | MAOB (0.51) | CYP3A4CYP26A1CYP26B1MAOBTDP1 | |
| SCHEMBL8908148 | 0.82 | TDP1 (0.42) | CYP3A4CYP26A1CYP26B1MAOBTDP1 | |
| SCHEMBL9282793 | 0.81 | MAOB (0.53) | CYP3A4MAOBTDP1KMT2ARXRA | |
| SCHEMBL8907584 | 0.80 | CYP3A4 (0.61) | CYP3A4CYP26A1CYP26B1MAOBTDP1 | |
| SCHEMBL8907597 | 0.78 | MAOB (0.49) | CYP3A4CYP26A1CYP26B1MAOBTDP1 | |
| SCHEMBL8839385 | 0.78 | TDP1 (0.50) | CYP3A4MAOBTDP1LMNARXRA |
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-5654331-A | SKIN AND RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) | 1997-08-05 | — | — | US | disclosed |
| US-5476860-A | Diaromatic compounds derived from a salicylic unit and their use in human and veterinary medicine and in cosmetics | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD GALDERMA) (FR) | 1995-12-19 | — | — | US | disclosed |