Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.39 |
| ▸ | HRH1 | P35367 | 3/20 | 0.39 |
| ▸ | HTR2B | P41595 | 3/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL6875449 | 1.00 | ALDH1A1 (0.45) | ALDH1A1LMNAGAAHTTMAPT | |
| SCHEMBL6867886 | 0.91 | KDM4E (0.46) | ALDH1A1LMNAGAAHTTMAPT | |
| SCHEMBL6867882 | 0.91 | KDM4E (0.46) | ALDH1A1LMNAGAAHTTMAPT | |
| SCHEMBL6879250 | 0.91 | RAB9A (0.44) | ALDH1A1LMNAGAAHTTMAPT | |
| SCHEMBL6879246 | 0.91 | RAB9A (0.44) | ALDH1A1LMNAGAAHTTMAPT | |
| SCHEMBL6868212 | 0.90 | MCHR1 (0.43) | ALDH1A1GAAMAPTRAB9ANPC1 | |
| SCHEMBL6868208 | 0.90 | MCHR1 (0.43) | ALDH1A1GAAMAPTRAB9ANPC1 | |
| SCHEMBL6878845 | 0.90 | SMN1; SMN2 (0.52) | ALDH1A1LMNAGAAHTTMAPT | |
| SCHEMBL6878840 | 0.90 | SMN1; SMN2 (0.52) | ALDH1A1LMNAGAAHTTMAPT | |
| SCHEMBL6878795 | 0.90 | SMN1; SMN2 (0.43) | ALDH1A1LMNAGAAHTTMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1464335-A2 | Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist | Taisho Pharmaceutical Co. Ltd. (JP) | 2004-10-06 | — | — | EP | disclosed |