Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | CASP1 | P29466 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CASP7 | P55210 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | PTPRC | P08575 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24328094 | 0.74 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9ACASP1TSHR | |
| SCHEMBL20976975 | 0.61 | NPC1 (0.36) | ALDH1A1NPC1RAB9ACASP1TSHR | |
| SCHEMBL2905519 | 0.61 | ACHE (0.66) | ALDH1A1NPC1RAB9ACASP1TSHR | |
| SCHEMBL24385269 | 0.61 | ACHE (0.36) | ALDH1A1NPC1RAB9ACASP1TSHR | |
| SCHEMBL2403993 | 0.60 | ALDH1A1 (0.33) | ALDH1A1NPC1RAB9ACASP1TSHR | |
| SCHEMBL9019053 | 0.60 | NPC1 (0.36) | ALDH1A1NPC1RAB9ACASP1TSHR | |
| SCHEMBL32678649 | 0.60 | — | — | |
| SCHEMBL32678647 | 0.60 | — | — | |
| SCHEMBL8970938 | 0.59 | PDE10A (0.38) | ALDH1A1NPC1RAB9ACASP1TSHR | |
| SCHEMBL11927527 | 0.59 | PTPRC (0.44) | ALDH1A1NPC1RAB9ACASP1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997048672-A2 | SUBSTITUTED TETRAHYDRONAPHTHALENE AND DIHYDRONAPHTHALENE DERIVATIVES HAVING RETINOID AND/OR RETINOID ANTAGONIST-LIKE BIOLOGICAL ACTIVITY | ALLERGAN SALES, INC. (US) | 1997-12-24 | — | — | WO | disclosed |