Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.63 |
| ▸ | MAPT | P10636 | 8/20 | 0.63 |
| ▸ | HPGD | P15428 | 4/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 6/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29207627 | 0.96 | MAPT (0.66) | ALDH1A1MAPTHPGDLMNAGAA | |
| SCHEMBL29207717 | 0.85 | ALDH1A1 (0.49) | ALDH1A1MAPTHPGDLMNAGAA | |
| SCHEMBL30395085 | 0.84 | ALDH1A1 (0.49) | ALDH1A1MAPTHPGDLMNAGAA | |
| SCHEMBL29207652 | 0.84 | ALDH1A1 (0.49) | ALDH1A1MAPTHPGDLMNAGAA | |
| SCHEMBL30395536 | 0.84 | ALDH1A1 (0.48) | ALDH1A1MAPTHPGDLMNAGAA | |
| SCHEMBL30395369 | 0.83 | ALDH1A1 (0.48) | ALDH1A1MAPTHPGDLMNAGAA | |
| SCHEMBL136480 | 0.83 | MAPT (0.68) | ALDH1A1MAPTHPGDLMNAGAA | |
| SCHEMBL29207690 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MAPTHPGDLMNAGAA | |
| SCHEMBL4057532 | 0.81 | TDP1 (0.70) | ALDH1A1MAPTHPGDLMNAGAA | |
| SCHEMBL136108 | 0.81 | MAPT (0.94) | ALDH1A1MAPTHPGDLMNAGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4380940-A1 | NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM | F. Hoffmann-La Roche AG (CH) | 2024-06-12 | — | — | EP | disclosed |
| WO-2023012130-A1 | NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM | F. HOFFMANN-LA ROCHE AG (CH) | 2023-02-09 | — | — | WO | disclosed |