Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL6956593 | 0.84 | KCNH2 (0.56) | KCNH2EPHX2MGLLALDH1A1HPGD | |
| SCHEMBL7083302 | 0.84 | KCNH2 (0.56) | KCNH2EPHX2MGLLALDH1A1HPGD | |
| SCHEMBL27400803 | 0.84 | PLA2G4A (0.48) | KCNH2LOXL2SMN1; SMN2BIRC5TAAR1 | |
| SCHEMBL27403901 | 0.84 | TAAR1 (0.44) | KCNH2LOXL2HPGDMAOBTAAR1 | |
| SCHEMBL6957897 | 0.81 | KCNH2 (0.52) | KCNH2EPHX2MGLLALDH1A1HPGD | |
| SCHEMBL5737044 | 0.80 | KCNH2 (0.51) | KCNH2EPHX2MGLLALDH1A1HPGD | |
| SCHEMBL4572982 | 0.79 | KCNH2 (0.60) | KCNH2EPHX2MGLLHTR2CHTR2A | |
| SCHEMBL30364829 | 0.79 | KCNH2 (0.60) | KCNH2EPHX2MGLLHTR2CHTR2A | |
| SCHEMBL5735700 | 0.77 | KCNH2 (0.49) | KCNH2EPHX2MGLLALDH1A1HPGD | |
| SCHEMBL27403675 | 0.77 | LOXL2 (0.36) | KCNH2LOXL2HTR2CHTR2AMAPT |
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-2010082044-A1 | UNSATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2010-07-22 | — | — | WO | disclosed |