Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | RARA | P10276 | 3/20 | 0.41 |
| ▸ | RARB | P10826 | 3/20 | 0.41 |
| ▸ | RARG | P13631 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9054294 | 0.92 | RARA (0.48) | ALDH1A1HPGDKDM4ETSHRRARA | |
| SCHEMBL9055499 | 0.90 | CA1 (0.53) | ALDH1A1RARARARBRARGCA1 | |
| SCHEMBL9053340 | 0.85 | CA2 (0.47) | ALDH1A1KDM4ERARARARBRARG | |
| SCHEMBL9053417 | 0.85 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4ETSHRRARA | |
| SCHEMBL9053667 | 0.83 | ALDH1A1 (0.52) | ALDH1A1HPGDKDM4ETSHRRARA | |
| SCHEMBL9092304 | 0.81 | RARB (0.60) | ALDH1A1RARARARBRARGCA1 | |
| SCHEMBL9091594 | 0.80 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4ETSHRRARA | |
| SCHEMBL9054214 | 0.80 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4ETSHRRARA | |
| SCHEMBL9091735 | 0.79 | RARA (0.54) | ALDH1A1HPGDKDM4ETSHRRARA | |
| SCHEMBL9185718 | 0.78 | RARA (0.54) | HPGDRARARARBRARGCA1 |
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-5498755-A | IMINE COMPOUNDS FOR SKIN DISORDERS AND ANTIINFLAMMATORY AGENTS | ALLERGAN, INC. | 1996-03-12 | — | — | US | disclosed |
| WO-1996006070-A1 | DISUBSTITUTED ARYL AND HETEROARYL IMINES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN (US) | 1996-02-29 | — | — | WO | disclosed |