Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 14/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7747170 | 0.95 | KIF11 (0.59) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| Lithium Ion SCHEMBL8852232 | 0.95 | KIF11 (0.59) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| Tetramethylammonium Ion SCHEMBL6517997 | 0.90 | KIF11 (0.53) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| Tetrylammonium SCHEMBL374839 | 0.85 | KIF11 (0.48) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| Paraquat SCHEMBL8852739 | 0.80 | SLC22A2 (0.50) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| Tetrabuthylammonium SCHEMBL1350363 | 0.80 | KIF11 (0.44) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8350816 | 0.79 | KIF11 (0.43) | KIF11CYP3A4 | |
| Choline SCHEMBL9015229 | 0.79 | KIF11 (0.43) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1149158 | 0.77 | KIF11 (0.64) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9161414 | 0.76 | KIF11 (0.64) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0387087-B1 | Photoinitiator compositions, photohardenable compositions and photosensitive microcapsules | CYCOLOR INC (US) | 1997-10-08 | — | — | EP | disclosed |
| US-5230982-A | Heterocyclic disulfides for crosslinking | THE MEAD CORPORATION (US) | 1993-07-27 | — | — | US | disclosed |
| EP-0387087-A2 | Photoinitiator compositions, photohardenable compositions and photosensitive microcapsules | THE MEAD CORPORATION (US) | 1990-09-12 | — | — | EP | disclosed |