Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18161913 | 0.86 | KDM1A (0.48) | KDM1AMAP1LC3BHTR2CSLC6A2HTR2A | |
| SCHEMBL1066184 | 0.86 | KDM1A (0.48) | KDM1AMAP1LC3BHTR2CSLC6A2HTR2A | |
| Hydrogen Sulfide SCHEMBL28219443 | 0.84 | KDM1A (0.46) | KDM1AMAP1LC3BHTR2CSLC6A2HTR2A | |
| Ammonia Solution, Strong SCHEMBL22408764 | 0.84 | KDM1A (0.46) | KDM1AMAP1LC3BHTR2CSLC6A2HTR2A | |
| SCHEMBL9252545 | 0.83 | MAP1LC3B (0.40) | KDM1AMAP1LC3BPARP10PTGS1PTGS2 | |
| SCHEMBL9252538 | 0.83 | MAP1LC3B (0.40) | KDM1AMAP1LC3BPARP10PTGS1PTGS2 | |
| Hydrochloric Acid SCHEMBL28713022 | 0.82 | MAP1LC3B (0.39) | KDM1AMAP1LC3BPARP10HTR2CSLC6A2 | |
| SCHEMBL10695866 | 0.80 | MAP1LC3B (0.38) | KDM1AMAP1LC3BPARP10HTR2APTGS1 | |
| SCHEMBL8596565 | 0.80 | KDM1A (0.50) | KDM1APARP10HTR2CSLC6A2HTR2A | |
| SCHEMBL24087487 | 0.79 | PTGS2 (0.48) | KDM1AMAP1LC3BHTR2CSLC6A2HTR2A |
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-105431436-B | Pyrrolo [2,3-D ] pyrimidine derivatives, processes for their preparation and their use as kinase inhibitors | 内尔维阿诺医学科学有限公司 | 2017-11-28 | — | — | CN | claimed |