Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL13782273 | 0.75 | ALOX15 (0.33) | CYP2C19ALDH1A1ALOX15PIK3CDPIK3CA | |
| SCHEMBL10065608 | 0.71 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C19CYP2C9HSD17B10 | |
| SCHEMBL24620396 | 0.70 | SYK (0.34) | PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL24620454 | 0.70 | CHRNA7 (0.34) | PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL21016968 | 0.69 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C19CYP2C9HSD17B10 | |
| SCHEMBL15888817 | 0.68 | HDAC8 (0.30) | — | |
| SCHEMBL2751436 | 0.67 | — | — | |
| SCHEMBL30803768 | 0.67 | — | — | |
| SCHEMBL22758491 | 0.67 | CTPS1 (0.36) | — | |
| SCHEMBL1154553 | 0.67 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C19CYP2C9HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020210380-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | NUVATION BIO INC. (US) | 2020-10-15 | — | — | WO | disclosed |