Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | HCAR3 | P49019 | 7/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | PKM | P14618 | 2/20 | 0.55 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.52 |
| ▸ | CDC25B | P30305 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | BCL2 | P10415 | 1/20 | 0.51 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.51 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.51 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28201371 | 0.99 | ALDH1A1 (0.59) | ALDH1A1NPSR1HCAR3KMT2APKM | |
| SCHEMBL10502410 | 0.88 | HCAR3 (0.74) | ALDH1A1NPSR1HCAR3KMT2AMAPT | |
| SCHEMBL11238552 | 0.84 | HCAR3 (0.77) | ALDH1A1HCAR3KMT2APKMVCAM1 | |
| SCHEMBL7974178 | 0.84 | ALDH1A1 (0.64) | ALDH1A1NPSR1HCAR3KMT2APKM | |
| SCHEMBL11544539 | 0.84 | KMT2A (0.58) | ALDH1A1HCAR3KMT2APKMVCAM1 | |
| SCHEMBL9725429 | 0.84 | PKM (0.65) | ALDH1A1NPSR1HCAR3KMT2APKM | |
| SCHEMBL9725412 | 0.83 | ALDH1A1 (0.63) | ALDH1A1NPSR1HCAR3KMT2APKM | |
| SCHEMBL7971817 | 0.83 | ALDH1A1 (0.63) | ALDH1A1NPSR1HCAR3KMT2APKM | |
| Methyl Alcohol SCHEMBL28201843 | 0.83 | HCAR3 (0.73) | ALDH1A1HCAR3KMT2APKMVCAM1 | |
| Methyl Alcohol SCHEMBL28201441 | 0.82 | HCAR3 (0.76) | ALDH1A1HCAR3KMT2APKMVCAM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107635989-A | Benzimidizole derivatives as bromine domain inhibitor | 葛兰素史克知识产权开发有限公司 | 2018-01-26 | — | — | CN | disclosed |