Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | FBP1 | P09467 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | MC5R | P33032 | 1/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.52 |
| ▸ | CCR2 | P41597 | 1/20 | 0.52 |
| ▸ | HTR6 | P50406 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| 2-Mercaptobenzothiazole SCHEMBL57787 | 1.00 | ALDH1A1 (0.52) | ALDH1A1HSD17B10TDP1HPGDADRA2A | |
| 2-Mercaptobenzothiazole SCHEMBL11575316 | 1.00 | ALDH1A1 (0.52) | ALDH1A1HSD17B10TDP1HPGDADRA2A | |
| 2-Mercaptobenzothiazole SCHEMBL381773 | 0.98 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TDP1HPGDADRA2A | |
| 2-Mercaptobenzothiazole SCHEMBL4758765 | 0.98 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TDP1HPGDADRA2A | |
| 2-Mercaptobenzothiazole SCHEMBL3789760 | 0.98 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TDP1HPGDADRA2A | |
| 2-Mercaptobenzothiazole SCHEMBL29509878 | 0.98 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TDP1HPGDADRA2A | |
| 2-Mercaptobenzothiazole SCHEMBL23237 | 0.98 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TDP1HPGDADRA2A | |
| 2-Mercaptobenzothiazole SCHEMBL7640197 | 0.95 | ALDH1A1 (0.52) | ALDH1A1HSD17B10TDP1HPGDADRA2A | |
| 2-Mercaptobenzothiazole SCHEMBL8158663 | 0.95 | ALDH1A1 (0.52) | ALDH1A1HSD17B10TDP1HPGDADRA2A | |
| 2-Mercaptobenzothiazole SCHEMBL20537310 | 0.95 | ALDH1A1 (0.52) | ALDH1A1HSD17B10TDP1HPGDADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0273460-B1 | ENERGY TRANSMITTING FLUID | UNION CARBIDE CORPORATION (US) | 1991-06-19 | — | — | EP | disclosed |