Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | F10 | P00742 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7399999 | 0.96 | ALDH1A1 (0.61) | ALDH1A1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7406289 | 0.93 | ALDH1A1 (0.52) | ALDH1A1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7407224 | 0.88 | ALDH1A1 (0.53) | ALDH1A1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7398926 | 0.87 | ALDH1A1 (0.62) | ALDH1A1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7335436 | 0.86 | HRH3 (0.59) | ALDH1A1MAPTPOLBHRH3MEN1 | |
| SCHEMBL7398444 | 0.84 | KDR (0.47) | ALDH1A1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7403445 | 0.84 | ALDH1A1 (0.48) | ALDH1A1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7398874 | 0.82 | GAA (0.49) | ALDH1A1MAPTHRH3MEN1KMT2A | |
| SCHEMBL7398038 | 0.82 | POLB (0.47) | ALDH1A1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7402638 | 0.82 | ALDH1A1 (0.51) | ALDH1A1MAPTCYP1A2CYP3A4CYP2D6 |
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-0691959-B1 | HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS | ZENECA LTD (GB) | 1998-07-22 | — | — | EP | claimed |