Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | RARA | P10276 | 6/20 | 0.42 |
| ▸ | RARB | P10826 | 6/20 | 0.42 |
| ▸ | RARG | P13631 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | RXRA | P19793 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.41 |
| ▸ | RXRB | P28702 | 3/20 | 0.41 |
| ▸ | RXRG | P48443 | 3/20 | 0.41 |
| ▸ | RORC | P51449 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14430255 | 0.83 | CYP1A2 (0.51) | HAO1CYP1A2RARARARBRARG | |
| SCHEMBL30358271 | 0.74 | CYP1A2 (0.51) | HAO1CYP1A2RARARARBRARG | |
| SCHEMBL8474784 | 0.74 | CYP1A2 (0.55) | HAO1CYP1A2RARARARBRARG | |
| SCHEMBL1472109 | 0.70 | CYP1A2 (0.57) | HAO1CYP1A2RARARARBRARG | |
| SCHEMBL3307322 | 0.70 | CYP1A2 (0.57) | HAO1CYP1A2RARARARBRARG | |
| SCHEMBL1472108 | 0.70 | CYP1A2 (0.57) | HAO1CYP1A2RARARARBRARG | |
| SCHEMBL10618596 | 0.68 | ALDH1A1 (0.71) | CYP1A2RARARARBRARGALDH1A1 | |
| SCHEMBL10620486 | 0.68 | ALDH1A1 (0.71) | CYP1A2RARARARBRARGALDH1A1 | |
| SCHEMBL1404273 | 0.67 | HAO1 (0.72) | HAO1CYP1A2RARARARBRARG | |
| SCHEMBL2130233 | 0.67 | HAO1 (0.72) | HAO1CYP1A2RARARARBRARG |
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-5986131-A | UNSATURATED CARBOXYLIC ACID DERIVATIVES AS LIGANDS AND RETINOIC ACID RECEPTORS | HOFFMANN-LA ROCHE INC. (US) | 1999-11-16 | — | — | US | disclosed |
| EP-0728742-B1 | Novel retinoids | HOFFMANN LA ROCHE (CH) | 1999-10-20 | — | — | EP | disclosed |
| EP-0728742-A2 | Novel retinoids | F. HOFFMANN-LA ROCHE AG (CH) | 1996-08-28 | — | — | EP | disclosed |