Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | QPCT | Q16769 | 6/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14600776 | 0.91 | ALDH1A1 (0.46) | ALDH1A1TSHRHSP90AA1HSP90AB1ADORA2A | |
| SCHEMBL14600751 | 0.86 | GAA (0.46) | ALDH1A1TSHRHSP90AA1HSP90AB1ADORA2A | |
| SCHEMBL14286125 | 0.76 | ADORA2A (0.53) | ALDH1A1TSHRHSP90AA1HSP90AB1ADORA2A | |
| SCHEMBL14600757 | 0.75 | ALDH1A1 (0.44) | ALDH1A1TSHRHSP90AA1HSP90AB1ADORA2A | |
| SCHEMBL14600775 | 0.67 | BCAT1 (0.39) | POLBSMN1; SMN2 | |
| SCHEMBL5565224 | 0.67 | BCAT1 (0.37) | — | |
| SCHEMBL14600777 | 0.66 | GSK3B (0.53) | ALDH1A1POLBMEN1KMT2AGAA | |
| SCHEMBL14286129 | 0.64 | ADORA2A (0.53) | ALDH1A1ADORA2APOLBMEN1KMT2A | |
| SCHEMBL5047841 | 0.63 | ADORA2A (0.53) | ALDH1A1TSHRADORA2APOLBMEN1 | |
| SCHEMBL4831524 | 0.63 | BCAT1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1697352-B1 | 4-AZOLE SUBSTITUTED IMIDAZOLE COMPOSITIONS USEFUL AS INHIBITORS OR C-MET RECEPTOR TYROSINE KINASE | VERTEX PHARMA (US) | 2012-06-27 | — | — | EP | disclosed |