Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.43 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.42 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.42 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.41 |
| ▸ | PADI1 | Q9ULC6 | 1/20 | 0.41 |
| ▸ | PADI3 | Q9ULW8 | 1/20 | 0.41 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.41 |
| ▸ | PADI2 | Q9Y2J8 | 1/20 | 0.41 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL162184 | 0.94 | — | — | |
| SCHEMBL30454545 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL28030641 | 0.92 | PLAU (0.46) | PLAUPDGFRBPDGFRANSD2CASP6 | |
| Ammonia Solution, Strong SCHEMBL28240370 | 0.92 | PLAU (0.46) | PLAUPDGFRBPDGFRANSD2CASP6 | |
| Cyanide SCHEMBL28298857 | 0.88 | PLAU (0.43) | PLAUPDGFRBPDGFRANSD2CASP6 | |
| Formic Acid Methyl Ester SCHEMBL27958597 | 0.87 | TRIM24 (0.47) | PLAUPDGFRBPDGFRANSD2CASP6 | |
| Formic Acid SCHEMBL28244691 | 0.87 | TRIM24 (0.47) | PLAUPDGFRBPDGFRANSD2CASP6 | |
| Pyridine SCHEMBL5263081 | 0.85 | PLAU (0.41) | PLAUPDGFRBPDGFRANSD2CASP6 | |
| Formic Acid Methyl Ester SCHEMBL28061228 | 0.80 | TRIM24 (0.41) | PLAUPDGFRBPDGFRANSD2CASP6 | |
| Formaldehyde SCHEMBL29210889 | 0.76 | APLNR (0.43) | NSD2CASP6HKDC1PADI1PADI3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105744936-B | Substituted quinolizine derivatives useful as HIV integrase inhibitors | 默沙东公司 | 2019-07-30 | — | — | CN | disclosed |
| CN-110036009-A | Substituted pyrrolidines and their use in the treatment of cystic fibrosis | 艾伯维公司 | 2019-07-19 | — | — | CN | disclosed |
| CN-110035993-A | SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS | 艾伯维公司 | 2019-07-19 | — | — | CN | disclosed |
| CN-106458956-B | The heterocycle sulfone that heteroaryl replaces | 格吕伦塔尔有限公司 | 2019-06-14 | — | — | CN | disclosed |