Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.51 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | BRD2 | P25440 | 1/20 | 0.45 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL25045387 | 0.86 | KMT2A (0.56) | PTGS2NOTUMMAPTKMT2ANPC1 | |
| SCHEMBL16697431 | 0.85 | SLC5A1 (0.46) | ALDH1A1HPGDKMT2ANPC1RAB9A | |
| SCHEMBL28906175 | 0.79 | ALDH1A1 (0.51) | ALDH1A1BRD4BRD2BRD3LMNA | |
| SCHEMBL497932 | 0.78 | NPSR1 (0.45) | ALDH1A1POLBTP53KDR | |
| SCHEMBL12474252 | 0.77 | PDE4B (0.48) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| SCHEMBL10983520 | 0.75 | TP53 (0.74) | ALDH1A1PTGS2MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL16697590 | 0.75 | GAA (0.49) | ALDH1A1MAPTPOLBBRD2HPGD | |
| SCHEMBL25044743 | 0.73 | SLC5A1 (0.57) | ALDH1A1MAPTPOLBNPC1RAB9A | |
| SCHEMBL15882063 | 0.73 | SMN1; SMN2 (0.65) | ALDH1A1MAPTPOLBHPGDSMN1; SMN2 | |
| SCHEMBL15790674 | 0.73 | PTGS2 (0.51) | ALDH1A1PTGS2NOTUMRELAL3MBTL1 |
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 |