Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.35 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TERT | O14746 | 3/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL642704 | 0.76 | PSMD14 (0.52) | KDM4ECYP3A4TSHRPSMD14COPS5 | |
| SCHEMBL28005976 | 0.73 | ALDH1A1 (0.45) | P2RX7CYP1A2ALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL10565450 | 0.73 | ALDH1A1 (0.43) | P2RX7CYP1A2ALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL1186316 | 0.71 | HPGD (0.50) | CYP1A2ALDH1A1CYP2C19HPGDKDM4E | |
| SCHEMBL11273383 | 0.70 | UGT2B7 (0.41) | P2RX7CYP1A2ALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL2332847 | 0.70 | ALDH1A1 (0.68) | CYP1A2ALDH1A1CYP2C19CYP2C9TSHR | |
| SCHEMBL7573609 | 0.69 | ALDH1A1 (0.44) | CYP1A2ALDH1A1CYP2C19HPGDKDM4E | |
| SCHEMBL30566931 | 0.69 | P2RX7 (0.45) | P2RX7CYP1A2ALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL1415318 | 0.69 | P2RX7 (0.45) | P2RX7CYP1A2ALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL27328332 | 0.68 | KDM4E (0.46) | P2RX7ALDH1A1KDM4ETSHRHSD17B10 |
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-103502232-B | Method for preparing alkanolamines obtained by homogeneously catalyzed alcohol amination | BASF SE (DE) | 2016-02-24 | — | — | CN | disclosed |