Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | PTGIR | P43119 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 1/20 | 0.31 |
| ▸ | RARG | P13631 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | RXRG | P48443 | 1/20 | 0.31 |
| ▸ | BCL2 | P10415 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.31 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.31 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL435512 | 0.86 | AKR1C1 (0.48) | ALDH1A1AKR1C1HDAC4 | |
| SCHEMBL994596 | 0.86 | AKR1C1 (0.48) | ALDH1A1AKR1C1HDAC4 | |
| SCHEMBL10659448 | 0.86 | AKR1C1 (0.48) | ALDH1A1AKR1C1HDAC4 | |
| Hydrochloric Acid SCHEMBL8114403 | 0.84 | AKR1C1 (0.47) | ALDH1A1AKR1C1HDAC4 | |
| Hydrochloric Acid SCHEMBL8114401 | 0.84 | AKR1C1 (0.47) | ALDH1A1AKR1C1HDAC4 | |
| SCHEMBL11241224 | 0.83 | AKR1C1 (0.40) | ALDH1A1HPGDAKR1C1 | |
| Hydrochloric Acid SCHEMBL11247968 | 0.82 | AKR1C1 (0.39) | HPGDAKR1C1 | |
| SCHEMBL16057460 | 0.81 | AKR1C1 (0.52) | AKR1C1HDAC4 | |
| SCHEMBL11238790 | 0.80 | SIRT1 (0.39) | ALDH1A1HPGDAKR1C1SIRT1 | |
| SCHEMBL10483428 | 0.80 | ESR2 (0.41) | AKR1C1 |
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 |