Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.37 |
| ▸ | APBA1 | Q02410 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | TACR1 | P25103 | 2/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8517947 | 0.78 | NOTUM (0.45) | ALDH1A1HTTMAPTHPGDCACNA1B | |
| SCHEMBL6541068 | 0.74 | NOTUM (0.46) | ALDH1A1HTTMAPTHPGDCACNA1B | |
| SCHEMBL8176205 | 0.72 | TACR1 (0.48) | ALDH1A1MAPTHPGDTACR1 | |
| SCHEMBL8332932 | 0.72 | HTT (0.36) | ALDH1A1HTTMAPTHPGDCACNA1B | |
| SCHEMBL5345569 | 0.71 | TACR1 (0.37) | ALDH1A1HTTMAPTHPGDCACNA1B | |
| SCHEMBL8329084 | 0.70 | ALDH1A1 (0.33) | ALDH1A1HTTMAPTHPGDCACNA1B | |
| SCHEMBL6100503 | 0.70 | ALDH1A1 (0.47) | ALDH1A1HTTMAPTHPGDCACNA1B | |
| SCHEMBL5551503 | 0.70 | ALDH1A1 (0.70) | ALDH1A1HTTMAPTHPGDCACNA1B | |
| SCHEMBL5935000 | 0.69 | TACR1 (0.39) | ALDH1A1HTTMAPTHPGDCACNA1B | |
| SCHEMBL13801193 | 0.69 | ALDH1A1 (0.43) | ALDH1A1HTTMAPTHPGDCACNA1B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5877191-A | ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIHISTAMINES; EMESIS | MERCK & CO., INC. (US) | 1999-03-02 | — | — | US | disclosed |