Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | GSTA1 | P08263 | 1/20 | 0.46 |
| ▸ | GALR3 | O60755 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL158230 | 0.86 | KDM4E (0.53) | CYP1A2CYP2C9HPGDALOX15CASP1 | |
| SCHEMBL30417128 | 0.86 | KDM4E (0.53) | CYP1A2CYP2C9HPGDALOX15CASP1 | |
| SCHEMBL30417355 | 0.85 | DGAT1 (0.55) | CYP1A2CYP2C9HPGDALOX15CASP1 | |
| SCHEMBL20610192 | 0.85 | DGAT1 (0.55) | CYP1A2CYP2C9HPGDALOX15CASP1 | |
| SCHEMBL23243356 | 0.80 | CFTR (0.46) | CYP1A2CYP2C9HPGDALOX15CASP1 | |
| SCHEMBL30736877 | 0.80 | NOTUM (0.58) | CES2LMNAGAATMPRSS4NOTUM | |
| SCHEMBL155135 | 0.80 | NOTUM (0.58) | CES2LMNAGAATMPRSS4NOTUM | |
| SCHEMBL31079739 | 0.80 | CFTR (0.46) | CYP1A2CYP2C9HPGDALOX15CASP1 | |
| SCHEMBL158061 | 0.78 | HDAC6 (0.54) | HPGDPOLBALDH1A1 | |
| SCHEMBL28021530 | 0.78 | CES2 (0.50) | CES2LMNAGAATMPRSS4MPO |
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-104844410-A | Synthetic method of 1, 1-2 fluorine - 1, 3 - acetylene compounds | UNIV BEIJING | 2015-08-19 | — | — | CN | disclosed |