Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 3/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.32 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 2/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.31 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 2/20 | 0.30 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27853659 | 0.88 | SCN1A (0.35) | EGFRMPOERBB2ERBB3ERBB4 | |
| SCHEMBL27870327 | 0.86 | RAB9A (0.38) | CNR2DHODH | |
| SCHEMBL185791 | 0.85 | OPRM1 (0.38) | OPRM1EGFRS1PR4KDRHRH4 | |
| SCHEMBL27870357 | 0.84 | CNR2 (0.37) | OPRM1EGFRS1PR4KDRMPO | |
| SCHEMBL27870352 | 0.83 | ALDH1A1 (0.42) | EGFRDHODHTAS2R14 | |
| Trifluoroacetic Acid SCHEMBL185819 | 0.81 | MPO (0.36) | OPRM1EGFRS1PR4KDRHRH4 | |
| SCHEMBL184811 | 0.78 | OPRM1 (0.44) | OPRM1S1PR4MPOCNR2DHODH | |
| SCHEMBL27853681 | 0.77 | OPRM1 (0.39) | OPRM1EGFRS1PR4KDRMPO | |
| SCHEMBL185434 | 0.77 | OPRM1 (0.35) | OPRM1EGFRS1PR4KDRMPO | |
| SCHEMBL184967 | 0.75 | KIT (0.42) | OPRM1EGFRKDRMPOCNR2 |
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-102414177-A | Compounds as bradykinin b1 antagonists | BOEHRINGER INGELHEIM INT | 2012-04-11 | — | — | CN | disclosed |