Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GPR183 | P32249 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3432676 | 0.78 | GRM5 (0.37) | HAO1CA1CA2CA9KDM4E | |
| SCHEMBL31380183 | 0.76 | APP (0.36) | HAO1 | |
| SCHEMBL22881118 | 0.76 | HRH3 (0.41) | CYP2A6HAO1MAOAMAOBACACB | |
| SCHEMBL22353122 | 0.76 | APP (0.59) | HAO1MAOBALDH1A1KDM4E | |
| SCHEMBL1246271 | 0.76 | CYP2A6 (0.57) | CYP2A6MAOAMAOBCA1CA2 | |
| SCHEMBL20015760 | 0.76 | CYP2A6 (0.57) | CYP2A6MAOAMAOBCA1CA2 | |
| SCHEMBL562862 | 0.75 | APP (0.55) | HAO1CA1CA2CA9ALDH1A1 | |
| SCHEMBL8617788 | 0.74 | KIF11 (0.47) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL8620900 | 0.73 | ASIC3 (0.44) | CYP2A6HAO1ACACBALDH1A1 | |
| SCHEMBL3433350 | 0.72 | CYP2A6 (0.44) | CYP2A6MAOAMAOBCA1CA2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119490461-A | Trifluoromethyl substituted quinazolinone compound, preparation method and application | 平顶山学院 | 2025-02-21 | — | — | CN | disclosed |
| EP-4237404-A1 | NOVEL COMPOUNDS | Sitryx Therapeutics Limited (GB) | 2023-09-06 | — | — | EP | disclosed |
| CN-114702504-B | Trifluoromethyl substituted indolopyranone compound, preparation method thereof and application thereof in antitumor drugs | 平顶山学院 | 2023-04-07 | — | — | CN | disclosed |
| CN-111423304-B | Synthetic method of 1,1-difluoroolefin compound | 合肥工业大学 | 2023-02-28 | — | — | CN | disclosed |
| CN-114702504-A | Trifluoromethyl substituted indolopyranone compound, preparation method thereof and application thereof in antitumor drugs | 平顶山学院 | 2022-07-05 | — | — | CN | disclosed |
| WO-2022090724-A1 | NOVEL COMPOUNDS | SITRYX THERAPEUTICS LIMITED (GB) | 2022-05-05 | — | — | WO | disclosed |
| CN-113173830-A | Synthesis method of 1, 1-difluoro-2-propylene hydrocarbon compound | 合肥工业大学 | 2021-07-27 | — | — | CN | disclosed |
| CN-111454286-A | Synthetic method of difluoroalkenyl boron compound | 合肥工业大学 | 2020-07-28 | — | — | CN | disclosed |
| CN-111423304-A | Synthesis method of 1, 1-difluoroolefin compound | 合肥工业大学 | 2020-07-17 | — | — | CN | disclosed |