Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | IDH1 | O75874 | 9/20 | 0.41 |
| ▸ | IDH2 | P48735 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | PGK1 | P00558 | 1/20 | 0.38 |
| ▸ | PGK2 | P07205 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12153223 | 1.00 | P2RX7 (0.43) | P2RX7NOTUMIDH1IDH2GABRA1 | |
| SCHEMBL1274457 | 0.82 | IDH1 (0.40) | IDH1IDH2 | |
| SCHEMBL25568031 | 0.82 | PGK1 (0.35) | P2RX7IDH1IDH2PGK1PGK2 | |
| SCHEMBL23967218 | 0.82 | IDH1 (0.37) | P2RX7IDH1IDH2PGK1PGK2 | |
| SCHEMBL3295150 | 0.82 | P2RX7 (0.50) | P2RX7NOTUMIDH1IDH2GABRA1 | |
| SCHEMBL12221318 | 0.76 | HTR3E (0.37) | IDH1IDH2 | |
| SCHEMBL23966994 | 0.76 | HSD11B1 (0.40) | IDH1IDH2PGK1PGK2ADRB1 | |
| SCHEMBL30395354 | 0.75 | NOTUM (0.58) | P2RX7NOTUMIDH1IDH2GABRA1 | |
| SCHEMBL15624402 | 0.75 | NOTUM (0.58) | P2RX7NOTUMIDH1IDH2GABRA1 | |
| SCHEMBL415739 | 0.73 | P2RX7 (0.44) | P2RX7NOTUMIDH1IDH2GABRA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4486444-A1 | 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS | F. Hoffmann-La Roche AG (CH) | 2025-01-08 | — | — | EP | disclosed |
| WO-2025006982-A1 | POTENT AND SELECTIVE DOPAMINE D3 RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2025-01-02 | — | — | WO | disclosed |
| CN-118871422-A | 3-Alkynyl carboxamides as AEP modulators | 豪夫迈·罗氏有限公司 | 2024-10-29 | — | — | CN | disclosed |
| CN-117597339-A | Aryl 3-oxo-piperazine carboxamides and heteroaryl 3-oxo-piperazine carboxamides as NAV1.8 inhibitors | 默沙东有限责任公司 | 2024-02-23 | — | — | CN | disclosed |
| WO-2023165943-A1 | 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-09-07 | — | — | WO | disclosed |