Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | SREBF2 | Q12772 | 8/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.38 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.38 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.38 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28012363 | 1.00 | CYP2D6 (0.49) | CYP2D6CYP3A4KCNH2SREBF2GSK3B | |
| SCHEMBL27913958 | 1.00 | CYP2D6 (0.49) | CYP2D6CYP3A4KCNH2SREBF2GSK3B | |
| SCHEMBL28011947 | 1.00 | CYP2D6 (0.49) | CYP2D6CYP3A4KCNH2SREBF2GSK3B | |
| SCHEMBL28078531 | 1.00 | CYP2D6 (0.49) | CYP2D6CYP3A4KCNH2SREBF2GSK3B | |
| SCHEMBL31345539 | 0.89 | SREBF2 (0.51) | KCNH2SREBF2 | |
| SCHEMBL27692764 | 0.89 | SREBF2 (0.51) | KCNH2SREBF2 | |
| SCHEMBL28292679 | 0.87 | CYP2D6 (0.46) | CYP2D6CYP3A4SREBF2GSK3BPSEN1 | |
| SCHEMBL25500863 | 0.87 | SREBF2 (0.52) | KCNH2SREBF2 | |
| SCHEMBL28684192 | 0.86 | SREBF2 (0.50) | CYP2D6CYP3A4SREBF2PSEN1PSEN2 | |
| Bromide SCHEMBL28704512 | 0.84 | MAPT (0.50) | CYP2D6CYP3A4SREBF2PSEN1PSEN2 |
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-104610132-A | Viologen compound, preparation method and application thereof | BEIJING INST FASHION TECH | 2015-05-13 | — | — | CN | disclosed |