Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | HPGD | P15428 | 4/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | FBP1 | P09467 | 2/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.51 |
| ▸ | DRD1 | P21728 | 1/20 | 0.51 |
| ▸ | MC5R | P33032 | 1/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11455872 | 1.00 | ALDH1A1 (0.58) | ALDH1A1HPGDTDP1NPC1RAB9A | |
| SCHEMBL11453732 | 0.98 | ALDH1A1 (0.56) | ALDH1A1HPGDTDP1NPC1RAB9A | |
| SCHEMBL4611904 | 0.86 | ALDH1A1 (0.64) | ALDH1A1HPGDTDP1NPC1RAB9A | |
| SCHEMBL7937072 | 0.80 | ALDH1A1 (0.56) | ALDH1A1HPGDTDP1NPC1RAB9A | |
| 2-Mercaptobenzothiazole SCHEMBL10987039 | 0.79 | ALDH1A1 (0.56) | ALDH1A1HPGDTDP1NPC1RAB9A | |
| SCHEMBL10794271 | 0.77 | ALDH1A1 (0.73) | ALDH1A1HPGDTDP1NPC1RAB9A | |
| SCHEMBL11545638 | 0.77 | ALDH1A1 (0.73) | ALDH1A1HPGDTDP1NPC1RAB9A | |
| SCHEMBL6677989 | 0.76 | ALDH1A1 (0.68) | ALDH1A1HPGDTDP1NPC1RAB9A | |
| SCHEMBL30514153 | 0.75 | ALDH1A1 (0.75) | ALDH1A1HPGDTDP1NPC1RAB9A | |
| SCHEMBL1412338 | 0.75 | ALDH1A1 (0.75) | ALDH1A1HPGDTDP1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-4182873-A | AMINATION OF MERCAPTO THIAZOLE OR DISULFIDE | RHONE-POULENC S.A. (FR) | 1980-01-08 | — | — | US | disclosed |