Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5530167 | 0.84 | MMP8 (0.49) | CES2CES1CASP1CYP3A4PIN1 | |
| SCHEMBL15917866 | 0.83 | CASP1 (0.70) | CES2CES1CASP1CYP3A4PIN1 | |
| SCHEMBL8410789 | 0.82 | CES2 (0.56) | CES2CES1CYP3A4MEN1KMT2A | |
| SCHEMBL7522990 | 0.82 | CES2 (0.56) | CES2CES1CYP3A4MEN1KMT2A | |
| SCHEMBL1190661 | 0.82 | CASP1 (0.49) | CASP1PIN1TSHRNPC1MEN1 | |
| SCHEMBL15994532 | 0.81 | PIN1 (0.42) | CES2CES1CASP1CYP3A4PIN1 | |
| SCHEMBL10650360 | 0.81 | PIN1 (0.42) | CES2CES1CASP1CYP3A4PIN1 | |
| SCHEMBL31059194 | 0.81 | PIN1 (0.42) | CES2CES1CASP1CYP3A4PIN1 | |
| SCHEMBL5252341 | 0.81 | PIN1 (0.42) | CES2CES1CASP1CYP3A4PIN1 | |
| SCHEMBL17168998 | 0.81 | KCNQ2 (0.46) | CES2CES1CYP3A4PIN1TSHR |
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-107074887-A | Substituted-dihydro pyrrolo-pyrazole compound | 宇部兴产株式会社 | 2017-08-18 | — | — | CN | disclosed |