Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | SDHB | P21912 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL24326363 | 0.81 | TDP1 (0.46) | TDP1ALDH1A1NPC1RAB9ANUDT1 | |
| SCHEMBL18508365 | 0.74 | TP53 (0.43) | CYP1A2CYP2C19CYP2D6HSD17B10CLK4 | |
| SCHEMBL9827717 | 0.74 | TUBB4A (0.55) | CYP1A2CYP2C19CYP2D6HSD17B10ALOX15 | |
| SCHEMBL22174077 | 0.74 | HSD17B10 (0.57) | CYP1A2CYP2C19CYP2D6HSD17B10CLK4 | |
| SCHEMBL3266109 | 0.72 | MAPT (0.53) | TDP1ALDH1A1MAPK1MEN1KMT2A | |
| SCHEMBL805593 | 0.71 | CRHR1 (0.47) | CYP1A2CYP2C19CYP2D6HSD17B10CLK4 | |
| SCHEMBL30928311 | 0.70 | ENPP3 (0.43) | CYP1A2CYP2C19CYP2D6HSD17B10CLK4 | |
| SCHEMBL23468767 | 0.70 | ENPP3 (0.43) | CYP1A2CYP2C19CYP2D6HSD17B10CLK4 | |
| SCHEMBL9827709 | 0.70 | AURKA (0.52) | CYP1A2CYP2C19HSD17B10ALOX15TDP1 | |
| SCHEMBL15757363 | 0.70 | NUDT1 (0.78) | CYP1A2CYP2C19CYP2D6HSD17B10CLK4 |
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-3299367-A1 | BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS | Novartis AG (CH) | 2018-03-28 | — | — | EP | disclosed |