Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.57 |
| ▸ | HPGD | P15428 | 5/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.42 |
| ▸ | PTGES | O14684 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.39 |
| ▸ | SLCO1B1 | Q9Y6L6 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29980735 | 0.81 | CYP3A4 (0.87) | CYP3A4HPGDKMT2APOLBACHE | |
| SCHEMBL950536 | 0.74 | CYP3A4 (1.00) | CYP3A4HPGDKMT2APOLBACHE | |
| SCHEMBL11595166 | 0.73 | CYP3A4 (0.56) | CYP3A4HPGDPOLBACHEHSD17B10 | |
| SCHEMBL2724973 | 0.71 | CYP3A4 (0.53) | CYP3A4HPGDACHE | |
| SCHEMBL22799151 | 0.71 | KMT2A (0.78) | CYP3A4HPGDKMT2APOLBACHE | |
| Evernic Acid SCHEMBL2552354 | 0.71 | POLB (1.00) | CYP3A4HPGDKMT2APOLBACHE | |
| SCHEMBL31643580 | 0.70 | ALDH1A1 (0.52) | CYP3A4HPGDKMT2APOLBACHE | |
| Methyl Orsellinate SCHEMBL370816 | 0.70 | CYP3A4 (1.00) | CYP3A4HPGDKMT2APOLBACHE | |
| SCHEMBL28903095 | 0.69 | CYP3A4 (0.50) | CYP3A4HPGDKMT2APOLBACHE | |
| SCHEMBL29576982 | 0.69 | CYP3A4 (0.50) | CYP3A4HPGDKMT2APOLBACHE |
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-6258839-B1 | COMPOUNDS FOR TREATMENT OF AIDS OR CANCER | MASHAVA PETER (ZW) | 2001-07-10 | — | — | US | disclosed |