Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 20/20 | 0.53 |
| ▸ | RARG | P13631 | 19/20 | 0.53 |
| ▸ | RARA | P10276 | 18/20 | 0.53 |
| ▸ | RXRA | P19793 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.50 |
| ▸ | GMNN | O75496 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10693400 | 1.00 | RARB (0.53) | RARBRARGRARARXRAKDM4E | |
| SCHEMBL10559122 | 0.88 | RARB (0.64) | RARBRARGRARARXRAKDM4E | |
| SCHEMBL10559113 | 0.88 | RARB (0.64) | RARBRARGRARARXRAKDM4E | |
| Arotinoid SCHEMBL2890175 | 0.85 | RARG (0.70) | RARBRARGRARARXRAKDM4E | |
| Arotinoid SCHEMBL29430179 | 0.85 | RARG (0.70) | RARBRARGRARARXRAKDM4E | |
| Arotinoid SCHEMBL2890176 | 0.85 | RARG (0.70) | RARBRARGRARARXRAKDM4E | |
| SCHEMBL10558090 | 0.85 | RARB (0.70) | RARBRARGRARARXRAKDM4E | |
| SCHEMBL10558081 | 0.85 | RARB (0.70) | RARBRARGRARARXRAKDM4E | |
| SCHEMBL10555570 | 0.84 | RARB (0.68) | RARBRARGRARARXRAKDM4E | |
| SCHEMBL26721193 | 0.83 | RARB (0.54) | RARBRARGRARARXRAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4678793-A | ACNE, PSORIASIS, ANTITUMOR | HOFFMANN-LA ROCHE INC. (US) | 1987-07-07 | — | — | US | claimed |
| US-4788213-A | TREATING ACNE AND PSORIASIS | HOFFMAN-LA ROCHE INC. (US) | 1988-11-29 | — | — | US | disclosed |
| US-4678793-A | ACNE, PSORIASIS, ANTITUMOR | HOFFMANN-LA ROCHE INC. (US) | 1987-07-07 | — | — | US | disclosed |