Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.44 |
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1699268 | 0.84 | MAOB (0.43) | CYP1A2CYP2C19ALDH1A1CYP2C9TSHR | |
| SCHEMBL1699357 | 0.74 | PRMT5 (0.50) | CYP1A2CYP2C19ALDH1A1CYP2C9TSHR | |
| SCHEMBL9981622 | 0.72 | NPC1 (0.58) | ALDH1A1HPGDKMT2AMEN1KDM4C | |
| SCHEMBL1699176 | 0.70 | NPC1 (0.49) | KMT2AMEN1KDM4CMAOBL3MBTL1 | |
| SCHEMBL9982135 | 0.67 | NPC1 (0.50) | CYP1A2CYP2C19LMNAHIF1APTGS1 | |
| SCHEMBL3421201 | 0.67 | LMNA (0.85) | CYP1A2CYP2C19ALDH1A1FFAR1FFAR4 | |
| SCHEMBL29192686 | 0.65 | MAOB (0.76) | LMNAKMT2AMEN1MAOBL3MBTL1 | |
| SCHEMBL19586360 | 0.65 | MAOB (0.77) | CYP1A2ALDH1A1CYP2C9HPGDLMNA | |
| SCHEMBL891345 | 0.65 | MAOB (0.56) | CYP1A2ALDH1A1CYP2C9HPGDLTA4H | |
| SCHEMBL6211695 | 0.65 | MAOB (0.55) | CYP1A2ALDH1A1TSHRCYP2D6HRH3 |
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-2011163355-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-29 | — | — | WO | disclosed |