Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | BAD | Q92934 | 1/20 | 0.41 |
| ▸ | TCF4 | P15884 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL11418442 | 0.82 | ALDH1A1 (0.48) | CES2CES1TCF4CTNNB1ATM | |
| SCHEMBL11418445 | 0.82 | ALDH1A1 (0.48) | CES2CES1TCF4CTNNB1ATM | |
| SCHEMBL1825343 | 0.79 | ESR1 (0.51) | CES2CES1TCF4CTNNB1ATM | |
| SCHEMBL12657759 | 0.79 | ESR1 (0.51) | CES2CES1TCF4CTNNB1ATM | |
| SCHEMBL9855705 | 0.79 | CES2 (0.44) | CES2CES1BCL2L1BADATM | |
| SCHEMBL1825340 | 0.79 | ESR1 (0.51) | CES2CES1TCF4CTNNB1ATM | |
| SCHEMBL11418451 | 0.77 | TCF4 (0.69) | CES2CES1TCF4CTNNB1MAPT | |
| SCHEMBL11427676 | 0.77 | ALDH1A1 (0.52) | TCF4CTNNB1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL11422585 | 0.77 | TYR (0.44) | TCF4CTNNB1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL11422583 | 0.77 | TYR (0.44) | TCF4CTNNB1MAPTSMN1; SMN2NPC1 |
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-105461680-B | A kind of synthetic method of 2- (4- fluorophenyls) thiophene | 苏州毕奇尔生物科技有限公司 | 2018-06-22 | — | — | CN | claimed |