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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.56 |
| ▸ | HTT | P42858 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.40 |
| ▸ | CHRNA10 | Q9GZZ6 | 2/20 | 0.40 |
| ▸ | CHRNA9 | Q9UGM1 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL332182 | 1.00 | KCNH2 (0.56) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL9619287 | 0.97 | KCNH2 (0.56) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL9619261 | 0.97 | KCNH2 (0.56) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL330869 | 0.95 | HTT (0.53) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| Tetrahexylammonium SCHEMBL331917 | 0.95 | HTT (0.53) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL330955 | 0.95 | HTT (0.53) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL330757 | 0.94 | HTT (0.52) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| Tetrabuthylammonium SCHEMBL332036 | 0.90 | KCNH2 (0.48) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL330725 | 0.88 | KCNH2 (0.70) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL331053 | 0.88 | KCNH2 (0.70) | KCNH2HTTLMNACYP2D6CYP2C9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2295484-B1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL | MITSUI CHEMICALS INC (JP) | 2018-01-17 | — | — | EP | disclosed |
| EP-2407498-B1 | Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material | MITSUI CHEMICALS INC (JP) | 2017-11-15 | — | — | EP | disclosed |
| US-8304507-B2 | Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material | MITSUI CHEMICALS, INC. (JP) | 2012-11-06 | — | — | US | disclosed |
| EP-2407498-A2 | Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material | Mitsui Chemicals, Inc. (JP) | 2012-01-18 | — | — | EP | disclosed |
| US-20110112269-A1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM THE POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL | MITSUI CHEMICALS, INC. (JP) | 2011-05-12 | — | — | US | disclosed |
| EP-2295484-A1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL | Mitsui Chemicals, Inc. (JP) | 2011-03-16 | — | — | EP | disclosed |