Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL1262761 | 0.98 | CYP2C19 (0.43) | CYP2C19ALDH1A1TDP1CA2ACHE | |
| SCHEMBL20420607 | 0.86 | CYP2C19 (0.36) | CYP2C19ALDH1A1TDP1CA2 | |
| SCHEMBL11974569 | 0.80 | CYP2C19 (0.41) | CYP2C19ALDH1A1TDP1CA2ACHE | |
| SCHEMBL23009498 | 0.80 | CYP2C19 (0.41) | CYP2C19ALDH1A1TDP1CA2ACHE | |
| SCHEMBL2126093 | 0.78 | CYP2C19 (0.39) | CYP2C19ALDH1A1TDP1CA2ACHE | |
| SCHEMBL269050 | 0.78 | ALDH1A1 (0.48) | CYP2C19ALDH1A1TDP1CA2PTPN1 | |
| SCHEMBL1435016 | 0.77 | CYP2C19 (0.42) | CYP2C19ALDH1A1TDP1CA2ACHE | |
| SCHEMBL1924519 | 0.77 | ALDH1A1 (0.53) | CYP2C19ALDH1A1TDP1CA2ACHE | |
| SCHEMBL11003812 | 0.77 | KMT2A (0.36) | ALDH1A1TDP1 | |
| SCHEMBL6135386 | 0.77 | CYP2C19 (0.38) | CYP2C19ALDH1A1TDP1CA2ACHE |
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-102223953-B | Novel catalysts for the reaction between an isocyanate and an alcohol | BLUESTAR SILICONES FRANCE | 2015-05-20 | — | — | CN | disclosed |