Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | FASN | P49327 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11247968 | 0.98 | AKR1C1 (0.39) | AKR1C1SLC6A2SLC6A4SLC6A3HDAC1 | |
| SCHEMBL10659448 | 0.90 | AKR1C1 (0.48) | AKR1C1ALDH1A1 | |
| SCHEMBL435512 | 0.90 | AKR1C1 (0.48) | AKR1C1ALDH1A1 | |
| SCHEMBL994596 | 0.90 | AKR1C1 (0.48) | AKR1C1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8114401 | 0.88 | AKR1C1 (0.47) | AKR1C1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8114403 | 0.88 | AKR1C1 (0.47) | AKR1C1ALDH1A1 | |
| SCHEMBL16057460 | 0.85 | AKR1C1 (0.52) | AKR1C1SMN1; SMN2 | |
| SCHEMBL10483428 | 0.83 | ESR2 (0.41) | AKR1C1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL15664899 | 0.83 | DRD2 (0.43) | ALDH1A1 | |
| SCHEMBL11234892 | 0.83 | ALDH1A1 (0.39) | AKR1C1HPGDALDH1A1 |
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-4316905-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1982-02-23 | — | — | US | disclosed |