Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nialamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | PRKCG | P05129 | 1/20 | 0.47 |
| ▸ | PRKACA | P17612 | 1/20 | 0.47 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | AKT1 | P31749 | 1/20 | 0.47 |
| ▸ | GSK3A | P49840 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | PRKX | P51817 | 1/20 | 0.47 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.47 |
| ▸ | PRKG2 | Q13237 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Nialamide SCHEMBL49430 | 0.91 | CA1 (0.62) | RAB9ATDP1CA1CA9TSHR | |
| Nialamide SCHEMBL7324704 | 0.90 | CA1 (0.61) | RAB9ATDP1CA1CA9TSHR | |
| SCHEMBL2995407 | 0.81 | RAB9A (0.72) | RAB9ATDP1CA1CA9SMN1; SMN2 | |
| Nialamide SCHEMBL7616996 | 0.77 | CYP1A2 (0.66) | TDP1CA1CA9SMN1; SMN2TSHR | |
| SCHEMBL3342974 | 0.76 | GAA (0.66) | SMN1; SMN2TSHRROCK2RPS6KA5MAP4K4 | |
| SCHEMBL2994694 | 0.76 | HDAC3 (0.70) | RAB9ATDP1CA1CA9ALDH1A1 | |
| SCHEMBL2995747 | 0.75 | CA1 (0.67) | RAB9ATDP1CA1CA9SMN1; SMN2 | |
| SCHEMBL4075670 | 0.74 | CYP1A2 (0.73) | TDP1SMN1; SMN2TSHRALDH1A1GAA | |
| SCHEMBL4071835 | 0.74 | CYP1A2 (0.73) | TDP1SMN1; SMN2TSHRALDH1A1GAA | |
| SCHEMBL8248746 | 0.74 | HTT (0.60) | TDP1CA1CA9TSHRMAPK1 |
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-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |