Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.30 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | XBP1 | P17861 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL9970890 | 0.82 | CYP1A2 (0.38) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL21177290 | 0.76 | CYP1A2 (0.36) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL21177942 | 0.74 | CYP1A2 (0.36) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL21179381 | 0.67 | ELOVL1 (0.32) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL20275758 | 0.66 | CCR1 (0.38) | ALDH1A1HSD17B10TP53NPC1MAPT | |
| SCHEMBL15711332 | 0.66 | TSHR (0.44) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7717522 | 0.65 | CYP1A2 (0.50) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL27912703 | 0.65 | MAPT (0.39) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL12051560 | 0.63 | SOS1 (0.35) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1671084 | 0.62 | CYP1A2 (0.48) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C19 |
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-2019141957-A1 | N-PYRIMIDINYL HYDROXY PYRAZOLE DERIVATIVES AND USES THEREOF | CADO BIOTECHNOLOGY IVS (DK) | 2019-07-25 | — | — | WO | disclosed |