Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.39 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2647 | 0.97 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Potassium SCHEMBL10410489 | 0.94 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL7739907 | 0.94 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL7330141 | 0.94 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL27851728 | 0.90 | ALDH1A1 (0.46) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Benzenethiol SCHEMBL28087569 | 0.87 | ALDH1A1 (0.43) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL31604194 | 0.87 | CYP1A2 (0.46) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Phenol SCHEMBL28223858 | 0.84 | CYP1A2 (0.48) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL31742348 | 0.82 | HPRT1 (0.67) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL1395240 | 0.82 | HPRT1 (0.67) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 |
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-4923885-A | PSORIASIS, GASTROINTESTINAL DISORDERS, SKIN DISORDERS; ANTICARCINOGENIC, ANTITUMOR, AND ANTIGROWTH AGENTS | MERCK & CO., INC. (US) | 1990-05-08 | — | — | US | disclosed |