Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL14286125 | 0.85 | ADORA2A (0.53) | ADORA2ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14600757 | 0.84 | ALDH1A1 (0.44) | ADORA2ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5047841 | 0.77 | ADORA2A (0.53) | ADORA2ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14286138 | 0.76 | GSK3B (0.45) | ADORA2AKMT2AMEN1 | |
| SCHEMBL14600751 | 0.71 | GAA (0.46) | ADORA2ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14286136 | 0.71 | MAPK1 (0.44) | ALDH1A1KMT2AHTTSMN1; SMN2POLB | |
| SCHEMBL14600776 | 0.71 | ALDH1A1 (0.46) | ADORA2ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1179031 | 0.69 | GLA (0.75) | CYP3A4CYP2C19ALDH1A1KMT2AHTT | |
| SCHEMBL14278766 | 0.67 | CYP1A2 (0.53) | ADORA2ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14286170 | 0.66 | CYP1A2 (0.51) | ADORA2ACYP1A2CYP3A4CYP2D6CYP2C9 |
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-7314885-B2 | Pyrrole compounds useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-01-01 | — | — | US | disclosed |
| US-7314885-B2 | Pyrrole compounds useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-01-01 | — | — | US | disclosed |