Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CCR6 | P51684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10685065 | 0.83 | MEN1 (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C19CLK4 | |
| SCHEMBL15533528 | 0.79 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19CLK4 | |
| SCHEMBL15533525 | 0.78 | MEN1 (0.62) | ALDH1A1CYP1A2CYP2D6CYP2C19CLK4 | |
| SCHEMBL15533795 | 0.78 | ABL1 (0.64) | ALDH1A1CYP1A2CYP2D6CYP2C19CLK4 | |
| SCHEMBL15534515 | 0.77 | MAPT (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19CLK4 | |
| SCHEMBL15533950 | 0.77 | ABL1 (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C19CLK4 | |
| SCHEMBL15533672 | 0.76 | MAPT (0.48) | ALDH1A1CYP1A2CYP2D6CYP2C19CLK4 | |
| SCHEMBL5923911 | 0.76 | TRPV1 (0.56) | ALDH1A1CYP1A2CYP2D6CYP2C19CLK4 | |
| SCHEMBL15533631 | 0.76 | ABL1 (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C19CLK4 | |
| SCHEMBL15534052 | 0.76 | EGFR (0.55) | ALDH1A1CYP1A2CYP2D6CYP2C19CLK4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013175415-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF | Piramal Enterprises Limited (IN) | 2013-11-28 | — | — | WO | claimed |
| WO-2013175415-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF | Piramal Enterprises Limited (IN) | 2013-11-28 | — | — | WO | disclosed |