Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 7/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | FPR1 | P21462 | 1/20 | 0.38 |
| ▸ | FPR3 | P25089 | 1/20 | 0.38 |
| ▸ | GPR183 | P32249 | 1/20 | 0.38 |
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2353493 | 0.92 | FFAR1 (0.50) | FFAR1CYP1A2FFAR4LIPGCHRM2 | |
| SCHEMBL9356039 | 0.87 | LIPG (0.50) | FFAR1CYP1A2FFAR4LIPGHSD17B10 | |
| SCHEMBL5500837 | 0.86 | FFAR1 (0.46) | FFAR1CYP1A2FFAR4LIPGCHRM2 | |
| SCHEMBL2916823 | 0.81 | HSD11B1 (0.57) | FFAR1CYP1A2CYP1A1CYP1B1KCNH2 | |
| SCHEMBL27441496 | 0.79 | FFAR1 (0.43) | FFAR1CYP1A2KCNH2FFAR4LIPG | |
| SCHEMBL9332666 | 0.79 | FFAR1 (0.49) | FFAR1CYP1A2KCNH2FFAR4LIPG | |
| Biphenyl SCHEMBL27954388 | 0.78 | LIPG (0.48) | LIPGHSD11B1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL5314930 | 0.78 | LIPG (0.42) | FFAR1CYP1A2CYP1A1CYP1B1LIPG | |
| SCHEMBL8586895 | 0.77 | FFAR1 (0.41) | FFAR1CYP1A2CYP1A1CYP1B1KCNH2 | |
| SCHEMBL28257465 | 0.77 | HSD17B10 (0.63) | FFAR1CYP1A2CYP1A1CYP1B1KCNH2 |
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-103429705-B | Compounds having C-C triple bonds | 默克专利股份有限公司 | 2016-08-17 | — | — | CN | disclosed |