Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | RARA | P10276 | 7/20 | 0.46 |
| ▸ | RARB | P10826 | 7/20 | 0.46 |
| ▸ | RARG | P13631 | 4/20 | 0.46 |
| ▸ | RXRA | P19793 | 2/20 | 0.43 |
| ▸ | HNF4A | P41235 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9093004 | 0.92 | RARB (0.53) | ALDH1A1HPGDKDM4ETSHRRARA | |
| SCHEMBL9091706 | 0.85 | RARB (0.56) | ALDH1A1KDM4ERARARARBRARG | |
| SCHEMBL9053667 | 0.85 | ALDH1A1 (0.52) | ALDH1A1HPGDKDM4ETSHRRARA | |
| SCHEMBL9054214 | 0.84 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4ETSHRRARA | |
| SCHEMBL9143040 | 0.82 | RARB (0.66) | ALDH1A1KDM4ERARARARBRARG | |
| SCHEMBL9143045 | 0.82 | RARB (0.66) | ALDH1A1KDM4ERARARARBRARG | |
| SCHEMBL9053417 | 0.81 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4ETSHRRARA | |
| SCHEMBL9057342 | 0.80 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4ETSHRRARA | |
| SCHEMBL11597612 | 0.80 | MAPT (0.60) | ALDH1A1HPGDKDM4ETSHRMAPT | |
| SCHEMBL11597609 | 0.80 | MAPT (0.60) | ALDH1A1HPGDKDM4ETSHRMAPT |
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 |