Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | USP2 | O75604 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30543258 | 0.89 | USP2 (0.41) | CYP1A2CYP2C9CYP2D6ALDH1A1CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL30184135 | 0.89 | CYP3A4 (0.43) | CYP1A2CYP2C9CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL18812838 | 0.83 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL29424710 | 0.82 | CYP2C9 (0.57) | CYP1A2CYP2C9CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL30745944 | 0.82 | CYP2C9 (0.57) | CYP1A2CYP2C9CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL18389861 | 0.81 | OPRM1 (0.42) | CYP1A2CYP2D6ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL30335554 | 0.81 | CYP2C9 (0.50) | CYP1A2CYP2C9CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL484569 | 0.80 | ACACB (0.43) | CYP1A2USP2 | |
| SCHEMBL20669401 | 0.80 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL21358327 | 0.80 | CHRNB2 (0.47) | CYP1A2CYP2C9CYP2D6ALDH1A1CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024182447-A1 | COMPOUNDS AND METHODS FOR MODULATING RAS-PI3K | VIVIDION THERAPEUTICS, INC. (US) | 2024-09-06 | — | — | WO | disclosed |
| CN-112110918-B | Spiro substituted pyrimido cyclic compounds, process for their preparation and their use in medicine | 劲方医药科技(上海)有限公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-112010858-B | BTK inhibitor, preparation method and pharmaceutical application thereof | 四川海思科制药有限公司 | 2023-07-18 | — | — | CN | disclosed |
| CN-112142748-B | Pyrazolopyrimidine compound, and preparation method and application thereof | 上海医药集团股份有限公司 | 2023-07-04 | — | — | CN | disclosed |