Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 11/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 11/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.37 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | FOLH1 | Q04609 | 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 | |
|---|---|---|---|---|
| SCHEMBL1590117 | 0.83 | AKR1C3 (0.59) | AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL24875589 | 0.82 | AKR1C3 (0.43) | AKR1C3AKR1C2AKR1C1PTGS1KCNQ2 | |
| SCHEMBL7708885 | 0.80 | HDAC1 (0.42) | HDAC1HDAC6DPP4FOLH1 | |
| SCHEMBL8476208 | 0.80 | MT-CO2 (0.47) | AKR1C3AKR1C2AKR1C1PTGS1HDAC1 | |
| SCHEMBL30192791 | 0.80 | MT-CO2 (0.47) | AKR1C3AKR1C2AKR1C1PTGS1HDAC1 | |
| SCHEMBL24875457 | 0.80 | MT-CO2 (0.47) | AKR1C3AKR1C2AKR1C1PTGS1HDAC1 | |
| SCHEMBL2295719 | 0.78 | ESR1 (0.50) | AKR1C3AKR1C2AKR1C1PTGS1ESR1 | |
| SCHEMBL13687168 | 0.78 | ESR1 (0.50) | KCNQ2ESR1ESR2 | |
| SCHEMBL3711505 | 0.78 | HDAC1 (0.41) | AKR1C3AKR1C2AKR1C1PTGS1HDAC1 | |
| SCHEMBL31478057 | 0.76 | CPN1 (0.53) | KCNQ2 |
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-103958472-A | Aryl-or N-heteroaryl-substituted methanesulfonamide derivatives as vanilloid receptor ligands | GRUENENTHAL GMBH | 2014-07-30 | — | — | CN | disclosed |