Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | FLT4 | P35916 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11056869 | 0.83 | KDR (0.39) | BRAFTSHRFLT4KDREGFR | |
| SCHEMBL11065195 | 0.75 | NPC1 (0.57) | ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL10647813 | 0.74 | TSHR (0.46) | BCAT2TSHRMAPT | |
| SCHEMBL30421445 | 0.72 | ATR (0.40) | CYP1A2CYP3A4HSD17B10ALOX15ALDH1A1 | |
| SCHEMBL10647822 | 0.71 | PGR (0.49) | BCAT2 | |
| SCHEMBL5713553 | 0.69 | NPC1 (0.62) | CYP1A2CYP3A4ALDH1A1CYP2D6TSHR | |
| SCHEMBL19150883 | 0.69 | HTT (0.45) | OPRM1OPRL1HSD17B10ALDH1A1MAPT | |
| SCHEMBL14859165 | 0.68 | ALDH1A1 (0.51) | HSD17B10ALOX15ALDH1A1TSHRCLK4 | |
| SCHEMBL5713570 | 0.67 | NPSR1 (0.54) | HSD17B10ALDH1A1TSHRMAPTMEN1 | |
| SCHEMBL1135309 | 0.67 | P2RY1 (0.64) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4434167-A | Pyrimidyl thioureas useful for the treatment of hypertension and hyperlipidemia | BEIERSDORF AKTIENGESELLSCHAFT (DE) | 1984-02-28 | — | — | US | disclosed |