Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.43 |
| ▸ | CA1 | P00915 | 5/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | HTR1B | P28222 | 2/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.36 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28302135 | 0.85 | LMNA (0.47) | CA2ADRB2ADRB1ADRB3HTR1A | |
| SCHEMBL28302128 | 0.84 | CA2 (0.48) | CA2CA1CA12CA7CA14 | |
| SCHEMBL28302172 | 0.74 | CACNA1B (0.35) | CA2CYP3A4ACACBKMT2AL3MBTL1 | |
| SCHEMBL30810403 | 0.71 | KDM1A (0.45) | KMT2AL3MBTL1RORC | |
| SCHEMBL31514885 | 0.71 | KDM1A (0.45) | KMT2AL3MBTL1RORC | |
| SCHEMBL12688377 | 0.70 | RORC (0.47) | RORC | |
| SCHEMBL12688439 | 0.70 | RORC (0.47) | RORC | |
| SCHEMBL1498297 | 0.70 | RORC (0.47) | RORC | |
| SCHEMBL28940249 | 0.69 | ADRB3 (0.44) | ADRB2ADRB1ADRB3CYP2D6ACACB | |
| SCHEMBL28940247 | 0.69 | ADRB3 (0.44) | ADRB2ADRB1ADRB3CYP2D6ACACB |
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-109952298-A | Indole carboxamides analog derivative, preparation method and its application in medicine | 江苏恒瑞医药股份有限公司 | 2019-06-28 | — | — | CN | disclosed |