Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | APP | P05067 | 3/20 | 0.48 |
| ▸ | SNCA | P37840 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.47 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.44 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 7/20 | 0.42 |
| ▸ | RXRB | P28702 | 3/20 | 0.42 |
| ▸ | RXRG | P48443 | 3/20 | 0.42 |
| ▸ | RARA | P10276 | 7/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8476259 | 1.00 | CYP1A2 (0.53) | CYP1A2APPSNCAALDH1A1CYP3A4 | |
| SCHEMBL8332164 | 0.79 | CYP1A2 (0.50) | CYP1A2APPSNCAALDH1A1CYP3A4 | |
| SCHEMBL8332167 | 0.79 | CYP1A2 (0.50) | CYP1A2APPSNCAALDH1A1CYP3A4 | |
| SCHEMBL4880028 | 0.78 | ALDH1A1 (0.68) | CYP1A2APPSNCAALDH1A1CYP3A4 | |
| SCHEMBL15608779 | 0.78 | ALDH1A1 (0.68) | CYP1A2APPSNCAALDH1A1CYP3A4 | |
| SCHEMBL8329301 | 0.78 | ALDH1A1 (0.68) | CYP1A2APPSNCAALDH1A1CYP3A4 | |
| SCHEMBL8329305 | 0.78 | ALDH1A1 (0.68) | CYP1A2APPSNCAALDH1A1CYP3A4 | |
| SCHEMBL12493600 | 0.78 | ALDH1A1 (0.68) | CYP1A2APPSNCAALDH1A1CYP3A4 | |
| SCHEMBL8329297 | 0.78 | ALDH1A1 (0.68) | CYP1A2APPSNCAALDH1A1CYP3A4 | |
| SCHEMBL4880031 | 0.78 | ALDH1A1 (0.68) | CYP1A2APPSNCAALDH1A1CYP3A4 |
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-5986131-A | UNSATURATED CARBOXYLIC ACID DERIVATIVES AS LIGANDS AND RETINOIC ACID RECEPTORS | HOFFMANN-LA ROCHE INC. (US) | 1999-11-16 | — | — | US | disclosed |
| EP-0728742-A2 | Novel retinoids | F. HOFFMANN-LA ROCHE AG (CH) | 1996-08-28 | — | — | EP | disclosed |