Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | DAO | P14920 | 5/20 | 0.49 |
| ▸ | DDO | Q99489 | 4/20 | 0.49 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.47 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL933745 | 1.00 | GAA (0.50) | GAARXFP1CYP1A2DAODDO | |
| SCHEMBL27851993 | 0.83 | GAA (0.47) | GAARXFP1CYP1A2DAODDO | |
| SCHEMBL12755282 | 0.79 | IMPDH2 (0.43) | DAODDOIMPDH2IMPDH1HRH4 | |
| SCHEMBL8230643 | 0.78 | DAO (0.56) | GAARXFP1CYP1A2DAODDO | |
| SCHEMBL29713806 | 0.78 | DAO (0.56) | GAARXFP1CYP1A2DAODDO | |
| SCHEMBL3186919 | 0.76 | GAA (0.47) | GAARXFP1CYP1A2DAODDO | |
| SCHEMBL1353956 | 0.75 | PARP1 (0.59) | GAARXFP1CYP1A2NQO2HRH4 | |
| SCHEMBL12778107 | 0.75 | IMPDH2 (0.47) | CYP1A2DAODDOIMPDH2IMPDH1 | |
| SCHEMBL15373471 | 0.75 | NR1I2 (0.51) | GAARXFP1CYP1A2NQO2KDM4E | |
| SCHEMBL1650595 | 0.75 | CYP1A2 (0.55) | GAARXFP1CYP1A2DAODDO |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025021120-A1 | 5-HT2A RECEPTOR AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翊石医药科技有限公司 | 2025-01-30 | — | — | WO | disclosed |
| EP-4277892-A1 | SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS | Les Laboratoires Servier (FR) | 2023-11-22 | — | — | EP | disclosed |
| WO-2022152705-A1 | SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS | LES LABORATOIRES SERVIER (FR) | 2022-07-21 | — | — | WO | disclosed |