Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.61 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | PPARD | Q03181 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MPI | P34949 | 1/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2095593 | 0.78 | CA2 (1.00) | CA2POLBATMKDM4EALDH1A1 | |
| SCHEMBL11377807 | 0.77 | LTA4H (0.55) | CA2ATMKDM4EALDH1A1CYP2D6 | |
| SCHEMBL23528205 | 0.77 | CHRM2 (0.50) | DAOCYP1A2 | |
| SCHEMBL29449205 | 0.74 | CA2 (0.91) | CA2POLBATMKDM4EALDH1A1 | |
| SCHEMBL28164756 | 0.74 | CA2 (0.91) | CA2POLBATMKDM4EALDH1A1 | |
| SCHEMBL83495 | 0.73 | CA2 (0.80) | CA2POLBATMKDM4EALDH1A1 | |
| SCHEMBL20117768 | 0.72 | IDO1 (0.46) | CA2ATMALDH1A1GAA | |
| Ammonia Solution, Strong SCHEMBL4861530 | 0.72 | CA2 (0.77) | CA2POLBATMKDM4EALDH1A1 | |
| SCHEMBL11097371 | 0.71 | CA2 (0.53) | CA2POLBATMKDM4EDAO | |
| SCHEMBL23528212 | 0.71 | DAO (0.44) | KDM4EDAOALDH1A1CYP1A2SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103626713-B | Ketone (thioketones) the class compound of nitrogen (oxygen) heterocycle pentane 2, its pharmaceutical composition, preparation method and purposes | 中国科学院上海药物研究所 | 2017-07-04 | — | — | CN | disclosed |
| US-5135944-A | Bis(benzylpyrrolidine) derivatives useful for treating congestive heart failure and acute renal failure | SYNTEX (U.S.A.) INC. (US) | 1992-08-04 | — | — | US | disclosed |
| US-5100912-A | Hypotensive agents, treatment of congestive heart failure | SYNTEX (U.S.A.) INC. (US) | 1992-03-31 | — | — | US | disclosed |
| EP-0404115-A1 | Bis(benzylpyrrolidine)Derivatives as dopamine agonists | SYNTEX (U.S.A.) INC. (US) | 1990-12-27 | — | — | EP | disclosed |