Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.68 |
| ▸ | CYP26A1 | O43174 | 4/20 | 0.68 |
| ▸ | CYP26B1 | Q9NR63 | 2/20 | 0.68 |
| ▸ | PPARG | P37231 | 4/20 | 0.49 |
| ▸ | RXRA | P19793 | 3/20 | 0.48 |
| ▸ | RARA | P10276 | 4/20 | 0.47 |
| ▸ | RARB | P10826 | 4/20 | 0.47 |
| ▸ | RARG | P13631 | 4/20 | 0.47 |
| ▸ | RXRB | P28702 | 2/20 | 0.47 |
| ▸ | RXRG | P48443 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL5084222 | 0.82 | CYP3A4 (0.63) | CYP3A4CYP26A1CYP26B1PPARGRXRA | |
| SCHEMBL8461581 | 0.81 | CYP26A1 (1.00) | CYP3A4CYP26A1CYP26B1RXRARARA | |
| SCHEMBL8907565 | 0.81 | CYP3A4 (0.64) | CYP3A4CYP26A1CYP26B1PPARGRXRA | |
| SCHEMBL6148261 | 0.80 | CYP3A4 (0.57) | CYP3A4CYP26A1CYP26B1PPARGRXRA | |
| SCHEMBL6148260 | 0.80 | CYP3A4 (0.57) | CYP3A4CYP26A1CYP26B1PPARGRXRA | |
| SCHEMBL9524594 | 0.80 | CYP3A4 (0.53) | CYP3A4CYP26A1CYP26B1RXRARARA | |
| SCHEMBL8005377 | 0.79 | RXRA (0.74) | CYP3A4CYP26A1CYP26B1PPARGRXRA | |
| SCHEMBL2788640 | 0.77 | CYP3A4 (0.70) | CYP3A4CYP26A1CYP26B1RXRARARA | |
| SCHEMBL17914371 | 0.76 | CYP3A4 (1.00) | CYP3A4CYP26A1CYP26B1PPARGRXRA | |
| SCHEMBL8907898 | 0.76 | CYP26A1 (0.69) | CYP3A4CYP26A1CYP26B1PPARGRXRA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0386451-B1 | OXYGEN-BEARING DIPHENYL HETEROALKANES, PROCESS FOR THEIR PREPARATION AND USE | BASF Aktiengesellschaft (DE) | 1993-04-28 | — | — | EP | disclosed |
| US-5128479-A | Skin disorders, cosmetics | BASF AKTIENGESELLSCHAFT (DE) | 1992-07-07 | — | — | US | disclosed |
| EP-0386451-A1 | Oxygen-bearing diphenyl heteroalkanes, process for their preparation and use | BASF Aktiengesellschaft (DE) | 1990-09-12 | — | — | EP | disclosed |