Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14569757 | 0.84 | ACHE (0.44) | ACHEKMT2AALOX5ALDH1A1TDP1 | |
| SCHEMBL16228151 | 0.83 | AOC3 (0.47) | CYP1A2ACHEKMT2AALOX5SMN1; SMN2 | |
| SCHEMBL16119286 | 0.83 | AOC3 (0.47) | CYP1A2ACHEKMT2AALOX5SMN1; SMN2 | |
| SCHEMBL31477408 | 0.82 | KMT2A (0.58) | CYP1A2ACHEKMT2ASLC6A4ALDH1A1 | |
| SCHEMBL8229829 | 0.82 | KMT2A (0.58) | CYP1A2ACHEKMT2ASLC6A4ALDH1A1 | |
| SCHEMBL2502288 | 0.82 | KMT2A (0.58) | CYP1A2ACHEKMT2ASLC6A4ALDH1A1 | |
| SCHEMBL1166933 | 0.82 | KMT2A (0.58) | CYP1A2ACHEKMT2ASLC6A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11337319 | 0.81 | KMT2A (0.56) | CYP1A2ACHEKMT2ASLC6A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL16295385 | 0.81 | KMT2A (0.56) | CYP1A2ACHEKMT2ASLC6A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL31477615 | 0.81 | KMT2A (0.56) | CYP1A2ACHEKMT2ASLC6A4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010111634-A2 | RENIN INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-30 | — | — | WO | disclosed |