Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14600751 | 0.84 | GAA (0.46) | ALDH1A1POLBMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL14286129 | 0.84 | ADORA2A (0.53) | ALDH1A1POLBMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL14600776 | 0.84 | ALDH1A1 (0.46) | ALDH1A1POLBMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL14600752 | 0.76 | NPC1 (0.36) | NPC1RAB9A | |
| SCHEMBL14600758 | 0.76 | GSK3B (0.41) | ADORA2ANPC1RAB9A | |
| SCHEMBL10067971 | 0.75 | ALDH1A1 (0.38) | ALDH1A1POLBMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL14286125 | 0.70 | ADORA2A (0.53) | ALDH1A1POLBMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL5047841 | 0.69 | ADORA2A (0.53) | ALDH1A1POLBMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL1179031 | 0.68 | GLA (0.75) | ALDH1A1POLBMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL30087232 | 0.64 | NPSR1 (0.67) | POLBMEN1KMT2ASMN1; SMN2TSHR |
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 |