Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | CPS1 | P31327 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL254529 | 0.95 | CA12 (0.50) | CYP1A2CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL29513208 | 0.95 | CA12 (0.50) | CYP1A2CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL27541994 | 0.85 | CPS1 (0.45) | CYP1A2CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL27699833 | 0.83 | SOS1 (0.47) | CYP1A2CYP1A1CYP1B1CPS1MAPT | |
| Tetrahydrofuran SCHEMBL28130288 | 0.80 | CPS1 (0.42) | CYP1A2CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL29509707 | 0.79 | CA12 (0.43) | CYP1A2CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL15718550 | 0.79 | CA12 (0.43) | CYP1A2CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL1510025 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL10340365 | 0.78 | AMY1A (0.50) | CYP1A2CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL3614957 | 0.77 | CYP11B1 (0.53) | CA12CA1CA2CA7CA9 |
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-105523904-A | Method for preparing 3,4-difluoroanisole | TIANJIN HEOWNS BIOCHEMISTRY TECH CO LTD | 2016-04-27 | — | — | CN | disclosed |