Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 3/20 | 0.48 |
| ▸ | GCGR | P47871 | 2/20 | 0.48 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.46 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.40 |
| ▸ | FLT3 | P36888 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23627700 | 0.81 | PTGDR2 (0.50) | CYP11B2CYP19A1KDM4ETSHR | |
| SCHEMBL17672788 | 0.80 | CYP19A1 (0.43) | CYP11B1CYP11B2CYP19A1TSHRCYP2C19 | |
| SCHEMBL1424066 | 0.80 | MAOA (0.54) | MAPK14GCGRPKN1PKN2CYP11B1 | |
| SCHEMBL17672828 | 0.80 | PKN1 (0.45) | MAPK14GCGRPKN1PKN2CYP11B1 | |
| SCHEMBL17540171 | 0.80 | CYP11B2 (0.55) | MAPK14GCGRPKN1PKN2CYP11B1 | |
| SCHEMBL17672897 | 0.80 | CYP11B2 (0.60) | CYP11B1CYP11B2CYP19A1FLT3KDM4E | |
| SCHEMBL19933113 | 0.76 | GCGR (0.50) | MAPK14GCGRPKN1PKN2CYP11B1 | |
| SCHEMBL24017211 | 0.74 | KIF11 (0.62) | LMNAGSK3B | |
| SCHEMBL24017205 | 0.74 | KDM1A (0.40) | CYP11B1CYP11B2LMNA | |
| SCHEMBL31726534 | 0.74 | CA12 (0.47) | MAPK14GCGRPKN1PKN2CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016055947-A1 | ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-04-14 | — | — | WO | disclosed |