Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | MMP13 | P45452 | 3/20 | 0.62 |
| ▸ | ROCK2 | O75116 | 8/20 | 0.61 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.60 |
| ▸ | PRKACA | P17612 | 2/20 | 0.60 |
| ▸ | GSK3A | P49840 | 2/20 | 0.60 |
| ▸ | GSK3B | P49841 | 2/20 | 0.60 |
| ▸ | PRKX | P51817 | 2/20 | 0.60 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.60 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.60 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.57 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.57 |
| ▸ | PRKCG | P05129 | 1/20 | 0.57 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | AKT1 | P31749 | 1/20 | 0.57 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL30780038 | 1.00 | GAA (0.62) | GAAMMP13ROCK2ROCK1CYP3A4 | |
| SCHEMBL4977146 | 0.86 | ALDH1A1 (0.65) | GAAMMP13HSD17B10KDM4EALDH1A1 | |
| SCHEMBL20389120 | 0.85 | NAMPT (0.80) | NAMPT | |
| SCHEMBL8375363 | 0.85 | ROCK1 (0.61) | GAAMMP13ROCK2ROCK1CYP3A4 | |
| SCHEMBL11626709 | 0.85 | GAA (0.76) | GAAMMP13CYP3A4MAPK1ALDH1A1 | |
| SCHEMBL14724809 | 0.85 | NPC1 (0.72) | GAAMMP13ROCK2ALDH1A1HPGD | |
| SCHEMBL29936927 | 0.84 | CA1 (0.66) | MMP13HSD17B10KDM4EALDH1A1HPGD | |
| SCHEMBL4483467 | 0.84 | MMP13 (0.59) | MMP13ROCK2ROCK1HSD17B10KDM4E | |
| SCHEMBL18715505 | 0.83 | ROCK1 (0.59) | GAAMMP13ROCK2ROCK1CYP3A4 | |
| SCHEMBL29258321 | 0.83 | AKR1C3 (0.50) | GAAMMP13ROCK2ROCK1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117187840-A | Method for electrochemically synthesizing pyridine carboxamide compound | 阜阳师范大学 | 2023-12-08 | — | — | CN | disclosed |
| EP-2443123-B1 | SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) | RIGEL PHARMACEUTICALS INC (US) | 2017-04-05 | — | — | EP | disclosed |
| EP-1523473-B1 | INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA (DE) | 2013-02-27 | — | — | EP | disclosed |