Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | GPX4 | P36969 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CETP | P11597 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GFER | P55789 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15131654 | 0.93 | ALDH1A1 (0.40) | ALDH1A1GPX4NPC1TP53RAB9A | |
| SCHEMBL15131656 | 0.92 | ALDH1A1 (0.47) | ALDH1A1GPX4NPC1TP53RAB9A | |
| SCHEMBL11357273 | 0.90 | ALDH1A1 (0.39) | ALDH1A1GPX4NPC1TP53RAB9A | |
| SCHEMBL10997528 | 0.85 | ALDH1A1 (0.40) | ALDH1A1GPX4NPC1TP53RAB9A | |
| SCHEMBL8440732 | 0.84 | ALDH1A1 (0.46) | ALDH1A1KDM4ECNR2LMNAMAPT | |
| SCHEMBL14785503 | 0.81 | ALDH1A1 (0.41) | ALDH1A1GPX4NPC1TP53RAB9A | |
| SCHEMBL8391381 | 0.78 | ALDH1A1 (0.45) | ALDH1A1GPX4NPC1TP53RAB9A | |
| SCHEMBL30124196 | 0.78 | ALDH1A1 (0.45) | ALDH1A1GPX4NPC1TP53RAB9A | |
| SCHEMBL8438809 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TP53KDM4ECNR2LMNA | |
| SCHEMBL20708190 | 0.78 | ALDH1A1 (0.39) | ALDH1A1GPX4NPC1TP53RAB9A |
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-1995011942-A1 | 3-DICYANOMETHYLIDENE-2,3-DIHYDROTHIOPHEN-1,1-DIOXIDE DERIVATIVES AS DISPERSE DYESTUFFS | ZENECA LIMITED (GB) | 1995-05-04 | — | — | WO | disclosed |