Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | TNKS | O95271 | 6/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 6/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 4/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16978438 | 0.92 | HSP90AA1 (0.45) | NPC1RAB9ASLC6A4SLC6A3TNKS | |
| SCHEMBL17147804 | 0.92 | HSP90AA1 (0.41) | NPC1RAB9ASLC6A4SLC6A3TNKS | |
| SCHEMBL16887403 | 0.90 | HSP90AA1 (0.47) | SLC6A4SLC6A3NOTUMHSP90AA1GAA | |
| SCHEMBL17147811 | 0.89 | NPC1 (0.37) | NPC1RAB9ASLC6A4SLC6A3PTGS1 | |
| SCHEMBL9223595 | 0.86 | ESR2 (0.38) | NPC1RAB9ASLC6A4SLC6A3TNKS | |
| SCHEMBL9223592 | 0.86 | ESR2 (0.38) | NPC1RAB9ASLC6A4SLC6A3TNKS | |
| SCHEMBL9226977 | 0.83 | CYP2C9 (0.51) | NPC1RAB9ASLC6A4SLC6A3ESR2 | |
| SCHEMBL9226984 | 0.83 | CYP2C9 (0.51) | NPC1RAB9ASLC6A4SLC6A3ESR2 | |
| SCHEMBL24721040 | 0.82 | ATM (0.41) | NPC1RAB9ATNKSTNKS2ESR2 | |
| SCHEMBL28560659 | 0.82 | TAAR1 (0.55) | NPC1RAB9AESR2CYP3A4CYP17A1 |
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-108299152-B | Synthetic method of 4-cyclopropyl biphenyl fluorine-containing compound | 山东盛华新材料科技股份有限公司 | 2021-04-13 | — | — | CN | disclosed |