Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | SELL | P14151 | 1/20 | 0.44 |
| ▸ | SELP | P16109 | 1/20 | 0.44 |
| ▸ | SELE | P16581 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | APEX1 | P27695 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6262244 | 0.90 | PTPN1 (0.40) | PTPN1BACE1SELLSELPSELE | |
| SCHEMBL742431 | 0.81 | SLC28A3 (0.38) | BACE1ALDH1A1CYP19A1MAOBKMT2A | |
| Water SCHEMBL6998437 | 0.79 | SLC28A3 (0.36) | BACE1ALDH1A1CYP19A1MAOBKMT2A | |
| SCHEMBL16099420 | 0.77 | ERN1 (0.38) | BACE1ERN1MAOBMAOAPPARG | |
| SCHEMBL29115719 | 0.77 | PTPN1 (0.47) | PTPN1BACE1SELLSELPSELE | |
| SCHEMBL1124861 | 0.76 | HRH3 (0.36) | ERN1ALDH1A1MAPTKMT2AKDM4E | |
| SCHEMBL9788451 | 0.76 | PTPN1 (0.69) | PTPN1BACE1TRPA1CYP19A1MAOB | |
| SCHEMBL9901526 | 0.74 | PTPN1 (0.45) | PTPN1BACE1SELLSELPSELE | |
| SCHEMBL28418499 | 0.73 | ERN1 (0.46) | SELLSELPSELEACHEERN1 | |
| SCHEMBL2470125 | 0.73 | CYP3A4 (0.41) | ACHEERN1ALDH1A1MAOBKMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4419532-A1 | FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2024-08-28 | — | — | EP | disclosed |
| WO-2023066825-A1 | FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-04-27 | — | — | WO | disclosed |
| EP-2984077-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING SWEET TASTE | Chromocell Corporation (US) | 2016-02-17 | — | — | EP | disclosed |
| WO-2014153000-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING SWEET TASTE | CHROMOCELL CORPORATION (US) | 2014-09-25 | — | — | WO | disclosed |
| EP-2649066-A1 | HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS | Autifony Therapeutics Limited (GB) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012076877-A1 | HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS | AUTIFONY THERAPEUTICS LIMITED (GB) | 2012-06-14 | — | — | WO | disclosed |
| EP-0104018-A2 | Benzopyran, benzothiapyran and quinoline compounds and pharmaceutical compositions containing them | FISONS plc (GB) | 1984-03-28 | — | — | EP | disclosed |