Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | MC4R | P32245 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3364493 | 0.86 | KCNQ2 (0.48) | GAAKCNQ2CES2CES1CNR2 | |
| SCHEMBL20282765 | 0.85 | TAS1R3 (0.44) | TAS1R3TAS1R1GAAKCNQ2CES2 | |
| SCHEMBL20282485 | 0.83 | TAS1R3 (0.43) | TAS1R3TAS1R1GAAKCNQ2CES2 | |
| SCHEMBL11078265 | 0.83 | GAA (0.43) | GAAKCNQ2CES2CES1CNR2 | |
| SCHEMBL27538012 | 0.83 | TAS1R3 (0.47) | TAS1R3TAS1R1GAAKCNQ2CES2 | |
| SCHEMBL27736942 | 0.81 | EPHX1 (0.39) | KCNQ2EPHX1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL5607127 | 0.81 | ALDH1A1 (0.42) | GAAEPHX1ALDH1A1LMNAROCK2 | |
| SCHEMBL2832020 | 0.79 | GAA (0.45) | GAAKCNQ2CES2CES1CNR2 | |
| SCHEMBL4453243 | 0.79 | GAA (0.45) | GAAKCNQ2CES2CES1CNR2 | |
| SCHEMBL1568339 | 0.77 | EPHX1 (0.62) | GAACNR2EPHX1IDO1TDO2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103319367-A | Caproamide derivative, and preparation method, intermediate and application thereof | SHANGHAI INST PHARM INDUSTRY | 2013-09-25 | — | — | CN | disclosed |
| EP-1937639-A2 | PYRIDINAMINOSULFONYL SUBSTITUTED BENZAMIDES AS INHIBITORS OF CYTOCHROME P450 3A4 (CYP3A4) | Pfizer Products Incorporated (US) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007034312-A2 | PYRIDINAMINOSULFONYL SUBSTITUTED BENZAMIDES AS INHIBITORS OF CYTOCHROME P450 3A4 (CYP3A4) | PFIZER PRODUCTS INC. (US) | 2007-03-29 | — | — | WO | disclosed |
| EP-1682545-A1 | IMIDAZOPYRIDINE SUBSTITUTED TROPANE DERIVATIVES WITH CCR5 RECEPTOR ANTAGONIST ACTIVITY FOR THE TREATMENT OF HIV AND INFLAMMATION | Pfizer Limited (GB) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005033107-A1 | IMIDAZOPYRIDINE SUBSTITUTED TROPANE DERIVATIVES WITH CCR5 RECEPTOR ANTAGONIST ACTIVITY FOR THE TREATMENT OF HIV AND INFLAMMATION | PFIZER LIMITED (GB) | 2005-04-14 | — | — | WO | disclosed |