Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.31 |
| ▸ | SELE | P16581 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9720506 | 0.86 | CYP3A4 (0.42) | CYP3A4CYP1A2CYP2C19TRPA1MAPK1 | |
| SCHEMBL10605509 | 0.76 | MAPK1 (0.47) | CYP3A4CYP1A2CYP2C19TRPA1MAPK1 | |
| SCHEMBL30466091 | 0.74 | CYP3A4 (0.57) | CYP3A4CYP1A2CYP2C19L3MBTL1CYP2D6 | |
| SCHEMBL9770811 | 0.74 | CYP3A4 (0.57) | CYP3A4CYP1A2CYP2C19L3MBTL1CYP2D6 | |
| SCHEMBL11686348 | 0.71 | CYP3A4 (0.46) | CYP3A4TRPA1MAPK1TDP1L3MBTL1 | |
| SCHEMBL10397423 | 0.69 | MAPK1 (0.40) | CYP3A4TRPA1MAPK1TDP1 | |
| SCHEMBL3922528 | 0.69 | TDP1 (0.68) | CYP3A4CYP1A2TRPA1MAPK1TDP1 | |
| SCHEMBL9720526 | 0.68 | CYP1A2 (0.51) | CYP3A4CYP1A2CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL9859232 | 0.68 | CYP3A4 (0.49) | CYP3A4TRPA1MAPK1TDP1 | |
| SCHEMBL4163589 | 0.68 | TRPA1 (0.49) | CYP3A4TRPA1MAPK1TDP1KMT2A |
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-5102884-A | Controlling leukemia | ISHIHARA SANGYO KAISHA LTD. (JP) | 1992-04-07 | — | — | US | disclosed |