Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK3 | O14649 | 2/20 | 0.49 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | RXRG | P48443 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL6475102 | 0.82 | PTGS2 (0.47) | KCNK3KCNK9PTGS2PTGS1AKR1C3 | |
| SCHEMBL16672459 | 0.81 | KCNK3 (0.45) | KCNK3KCNK9RXRARXRBRXRG | |
| SCHEMBL362211 | 0.80 | PTGS2 (0.64) | KCNK3KCNK9PTGS2PTGS1AKR1C3 | |
| SCHEMBL8473051 | 0.80 | PTGS2 (0.64) | KCNK3KCNK9PTGS2PTGS1AKR1C3 | |
| SCHEMBL7885098 | 0.80 | PTGS2 (0.64) | KCNK3KCNK9PTGS2PTGS1AKR1C3 | |
| SCHEMBL20534851 | 0.80 | KCNK3 (0.46) | KCNK3KCNK9RXRARXRBRXRG | |
| SCHEMBL1047240 | 0.79 | KCNK3 (0.47) | KCNK3KCNK9RXRARXRBRXRG | |
| SCHEMBL1047239 | 0.79 | KCNK3 (0.47) | KCNK3KCNK9RXRARXRBRXRG | |
| SCHEMBL807278 | 0.78 | KCNK3 (0.52) | KCNK3KCNK9PTGS1ALDH1A1L3MBTL1 | |
| SCHEMBL18304343 | 0.78 | PTGS2 (0.47) | PTGS2PTGS1ELANEL3MBTL1RORC |
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 |
|---|---|---|---|---|---|---|---|
| US-8158633-B2 | Phenyl-substituted pyrazolopyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-17 | — | — | US | disclosed |