Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CHUK | O15111 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20571353 | 0.81 | ALDH1A1 (0.42) | HRH4CYP2A6CHUKALDH1A1MAPT | |
| SCHEMBL6818942 | 0.74 | CYP2A6 (0.52) | HRH4CYP2A6ALDH1A1MAPTCYP3A4 | |
| SCHEMBL31078313 | 0.73 | HRH4 (0.46) | HRH4CYP2A6CHUKALDH1A1CYP3A4 | |
| SCHEMBL17865579 | 0.71 | HRH4 (0.58) | HRH4ALDH1A1MAPTCYP3A4ALOX15 | |
| SCHEMBL13221698 | 0.70 | CYP2A6 (0.33) | CYP2A6 | |
| SCHEMBL29952897 | 0.68 | CYP2A6 (0.58) | HRH4CYP2A6ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL286735 | 0.68 | CYP2A6 (0.58) | HRH4CYP2A6ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL20853236 | 0.68 | TNF (0.44) | CYP2A6ALDH1A1MAPT | |
| SCHEMBL3012783 | 0.67 | ALDH1A1 (0.54) | HRH4ALDH1A1MAPTTSHRSMN1; SMN2 | |
| SCHEMBL20840621 | 0.67 | DAO (0.53) | HRH4CYP2A6ALDH1A1MAPTTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106170489-A | New Pyrazolopyrimidine derivative and the purposes as MALT1 inhibitor thereof | 诺华股份有限公司 | 2016-11-30 | — | — | CN | disclosed |