Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TNF | P01375 | 2/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 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 | |
|---|---|---|---|---|
| SCHEMBL21084307 | 0.80 | TGFBR1 (0.47) | TGFBR1TNFCA12CA2CA9 | |
| SCHEMBL23873085 | 0.80 | TGFBR1 (0.47) | TGFBR1TNFALDH1A1CA12CA1 | |
| SCHEMBL23872984 | 0.80 | TGFBR1 (0.47) | TGFBR1CYP1A2CYP2C9TNFRXFP1 | |
| SCHEMBL23872985 | 0.75 | TGFBR1 (0.46) | TGFBR1TNFRXFP1ALDH1A1CA12 | |
| SCHEMBL21083341 | 0.73 | CYP1A2 (0.53) | TGFBR1CYP1A2CYP2C9RXFP1KDM4E | |
| SCHEMBL13692821 | 0.73 | CYP1A2 (0.53) | CYP1A2CYP2C9RXFP1KDM4EGLA | |
| SCHEMBL20125127 | 0.73 | CYP1A2 (0.53) | CYP1A2CYP2C9RXFP1KDM4EGLA | |
| SCHEMBL9525882 | 0.72 | TGFBR1 (0.46) | TGFBR1TNFKDM4EGLAGAA | |
| SCHEMBL10238918 | 0.72 | CYP1A2 (0.56) | TGFBR1CYP1A2CYP2C9KDM4EGLA | |
| SCHEMBL24349173 | 0.71 | CYP1A2 (0.47) | TGFBR1CYP1A2CYP2C9RXFP1KDM4E |
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-3492461-A1 | NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | Shanghai Yingli Pharmaceutical Co. Ltd. (CN) | 2019-06-05 | — | — | EP | disclosed |