Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 17/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 16/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 16/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 15/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 14/20 | 0.38 |
| ▸ | CASP1 | P29466 | 13/20 | 0.38 |
| ▸ | CASP7 | P55210 | 13/20 | 0.38 |
| ▸ | USP2 | O75604 | 13/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.38 |
| ▸ | TP53 | P04637 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 11/20 | 0.37 |
| ▸ | HPGD | P15428 | 9/20 | 0.37 |
| ▸ | GLA | P06280 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8268303 | 0.90 | PTPN11 (0.40) | HSD17B10PTPN11 | |
| SCHEMBL8266187 | 0.82 | MAPT (0.37) | CYP1A2ALDH1A1HSD17B10CYP3A4HIF1A | |
| SCHEMBL8267721 | 0.80 | PIK3R1 (0.35) | CYP1A2ALDH1A1HSD17B10CYP3A4HIF1A | |
| SCHEMBL8267735 | 0.78 | POLB (0.36) | CASP1LMNASMN1; SMN2 | |
| SCHEMBL11923230 | 0.73 | PTPN11 (0.40) | ALDH1A1HIF1ATP53LMNASMN1; SMN2 | |
| SCHEMBL11923180 | 0.73 | TACR1 (0.49) | CYP1A2ALDH1A1HSD17B10CYP3A4HIF1A | |
| SCHEMBL8266025 | 0.72 | MEN1 (0.33) | ALDH1A1CYP3A4USP2CYP2C19TP53 | |
| SCHEMBL11923296 | 0.72 | PTPN11 (0.43) | ALDH1A1HSD17B10TSHRHPGDSMN1; SMN2 | |
| SCHEMBL11923223 | 0.72 | PTPN11 (0.43) | CYP1A2ALDH1A1HSD17B10CYP3A4HIF1A | |
| SCHEMBL8267771 | 0.72 | CYP1A2 (0.35) | CYP1A2ALDH1A1HSD17B10CYP3A4HIF1A |
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-2006050476-A2 | PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-05-11 | — | — | WO | disclosed |