Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9458398 | 0.83 | MAOA (0.43) | ALDH1A1CYP3A4SLC22A2SLC22A1SLC22A3 | |
| SCHEMBL5581746 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| Biphenyl SCHEMBL895675 | 0.72 | ALDH1A1 (0.90) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| SCHEMBL1991754 | 0.72 | ALDH1A1 (0.90) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| Tannin Pyrogallol SCHEMBL11689471 | 0.72 | ALDH1A1 (0.90) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| SCHEMBL18674172 | 0.72 | ALDH1A1 (0.90) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| SCHEMBL143471 | 0.72 | ALDH1A1 (0.90) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| SCHEMBL2637802 | 0.72 | ALDH1A1 (0.90) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| Tannin Pyrogallol SCHEMBL21448 | 0.72 | ALDH1A1 (0.90) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| SCHEMBL827097 | 0.72 | ALDH1A1 (0.90) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 |
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-5208259-A | Lipoxygenase enzyme inhibitors | IMPERIAL CHEMICAL INDUSTRIES (GB) | 1993-05-04 | — | — | US | disclosed |