Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | BRD2 | P25440 | 1/20 | 0.39 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28906200 | 0.87 | ALPL (0.48) | ALDH1A1ALPLKDM4EGAASMN1; SMN2 | |
| SCHEMBL28906201 | 0.84 | ALDH1A1 (0.43) | ALDH1A1BRD4BRD2BRD3CNR1 | |
| SCHEMBL28906189 | 0.83 | AKR1C3 (0.43) | ALDH1A1KDM4EMAPT | |
| SCHEMBL7474145 | 0.82 | ALDH1A1 (0.40) | ALDH1A1ALPLKDM4EGAAHPGD | |
| SCHEMBL26133685 | 0.76 | HSD11B1 (0.40) | IDO1TDO2 | |
| SCHEMBL24034836 | 0.74 | GRM2 (0.41) | BRD4BRD2BRD3IDO1TDO2 | |
| SCHEMBL7475083 | 0.73 | CA12 (0.48) | ALDH1A1ALPLKDM4EGAAHPGD | |
| SCHEMBL16700525 | 0.72 | ALOX5 (0.45) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL461224 | 0.71 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL21981605 | 0.71 | DPP4 (0.51) | ALDH1A1ALPLKDM4EGAAHPGD |
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-4149933-A1 | NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM | F. Hoffmann-La Roche AG (CH) | 2023-03-22 | — | — | EP | disclosed |
| CN-115461337-A | Novel triazolyl derivatives as GABA A alpha 5 PAM | 豪夫迈·罗氏有限公司 | 2022-12-09 | — | — | CN | disclosed |