Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Tetrahexylammonium. 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 | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.60 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.56 |
| ▸ | LSS | P48449 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL330618 | 1.00 | SLC22A1 (0.65) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL331290 | 1.00 | SLC22A1 (0.65) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL330915 | 0.98 | SLC22A1 (0.62) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrapentylammonium SCHEMBL306115 | 0.97 | SLC22A1 (0.63) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL332024 | 0.93 | DNM1 (0.70) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL331140 | 0.93 | DNM1 (0.70) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL331035 | 0.92 | SLC22A1 (0.63) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Sulfuric Acid SCHEMBL11344200 | 0.92 | SLC22A1 (0.68) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Sulfuric Acid SCHEMBL2320651 | 0.92 | SLC22A1 (0.68) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrahexylammonium SCHEMBL4146123 | 0.92 | SLC22A1 (0.68) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 |
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 11 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 |
| EP-0433806-B1 | Isocyanatoalkylsulfonates and process for their preparation | BAYER AG (DE) | 1994-06-22 | — | — | EP | disclosed |
| EP-0412359-B1 | Method for the preparation of epoxysulphonates | BAYER AG (DE) | 1994-06-08 | — | — | EP | disclosed |
| US-5110975-A | ISOCYANATOALKYL SULPHONATES AND A PROCESS FOR THEIR PREPARATION | BAYER AKTIENGESELLSCHAFT (DE) | 1992-05-05 | — | — | US | disclosed |
| EP-0433806-A2 | Isocyanatoalkylsulfonates and process for their preparation | BAYER AG (DE) | 1991-06-26 | — | — | EP | disclosed |
| EP-0412359-A1 | Method for the preparation of epoxysulphonates | BAYER AG (DE) | 1991-02-13 | — | — | EP | disclosed |