Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL14600776 | 0.95 | ALDH1A1 (0.46) | GAAADORA2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL10067971 | 0.86 | ALDH1A1 (0.38) | GAAADORA2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL14286125 | 0.85 | ADORA2A (0.53) | GAAADORA2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL14600757 | 0.84 | ALDH1A1 (0.44) | GAAADORA2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL14600753 | 0.74 | GSK3B (0.53) | GAAALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14600755 | 0.72 | BCAT1 (0.41) | POLBRAB9ANPC1 | |
| SCHEMBL14286129 | 0.71 | ADORA2A (0.53) | GAAADORA2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL5047841 | 0.70 | ADORA2A (0.53) | GAAADORA2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1179031 | 0.69 | GLA (0.75) | GAAALDH1A1CYP3A4CYP2C19NAMPT | |
| SCHEMBL14600777 | 0.68 | GSK3B (0.53) | GAAALDH1A1CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-7169800-B2 | Imidazole compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-01-30 | — | — | US | disclosed |
| US-7169800-B2 | Imidazole compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-01-30 | — | — | US | disclosed |