Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of Tetrabuthylammonium. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.44 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 3/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL330758 | 0.97 | SMN1; SMN2 (0.53) | TSHRSMN1; SMN2TDP1PSIP1SLC22A1 | |
| SCHEMBL330870 | 0.95 | SMN1; SMN2 (0.55) | TSHRSMN1; SMN2TDP1PSIP1SLC22A1 | |
| SCHEMBL330956 | 0.95 | SMN1; SMN2 (0.55) | TSHRSMN1; SMN2TDP1PSIP1SLC22A1 | |
| Tetrahexylammonium SCHEMBL331918 | 0.95 | SMN1; SMN2 (0.55) | TSHRSMN1; SMN2TDP1PSIP1SLC22A1 | |
| Nonane SCHEMBL30043094 | 0.91 | SMN1; SMN2 (0.64) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| Hexane SCHEMBL27501792 | 0.91 | TSHR (0.70) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| SCHEMBL330304 | 0.90 | DNM1 (0.50) | TSHRSMN1; SMN2TDP1SLC22A1CYP2D6 | |
| SCHEMBL332183 | 0.90 | DNM1 (0.50) | TSHRSMN1; SMN2TDP1SLC22A1CYP2D6 | |
| Tetrapropylammonium SCHEMBL332360 | 0.89 | TSHR (0.61) | TSHRSMN1; SMN2TDP1PSIP1SLC22A1 | |
| SCHEMBL331062 | 0.89 | SMN1; SMN2 (0.48) | TSHRSMN1; SMN2TDP1PSIP1POLB |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109276569-B | Stable crystal form pharmaceutical composition and preparation method and application thereof | 四川海思科制药有限公司 | 2020-09-29 | — | — | CN | claimed |
| CN-109276569-A | A kind of stable crystal form pharmaceutical composition and its preparation method and application | 四川海思科制药有限公司 | 2019-01-29 | — | — | CN | claimed |
| EP-2116558-B1 | POLYMERIZABLE COMPOSITION CONTAINING A CATALYST, OPTICAL MATERIAL OBTAINED FROM THE COMPOSITION, AND METHOD FOR PRODUCING THE OPTICAL MATERIAL | MITSUI CHEMICALS INC (JP) | 2017-01-18 | — | — | EP | claimed |
| US-20100016517-A1 | POLYMERIZATION CATALYST FOR POLYTHIOURETHANE-BASED OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE CATALYST, OPTICAL MATERIAL OBTAINED FROM THE COMPOSITION, AND METHOD FOR PREPARING THE OPTICAL MATERIAL | MITSUI CHEMICALS, INC (JP) | 2010-01-21 | — | — | US | claimed |
| EP-2116558-A1 | POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE CATALYST, OPTICAL MATERIAL OBTAINED FROM THE COMPOSITION, AND METHOD FOR PRODUCING THE OPTICAL MATERIAL | Mitsui Chemicals, Inc. (JP) | 2009-11-11 | — | — | EP | claimed |
| US-5356748-A | Nonaqueous solvent containing dispersed resin grains and graft polymer stabilizer | FUJI PHOTO FILM CO., LTD. (JP) | 1994-10-18 | — | — | US | claimed |
| CN-109276569-B | Stable crystal form pharmaceutical composition and preparation method and application thereof | 四川海思科制药有限公司 | 2020-09-29 | — | — | CN | disclosed |
| CN-109276569-A | A kind of stable crystal form pharmaceutical composition and its preparation method and application | 四川海思科制药有限公司 | 2019-01-29 | — | — | CN | disclosed |
| EP-2780387-B1 | POLYMERIZABLE COMPOSITION, OPTICAL ARTICLE OBTAINED THEREFROM AND METHOD FOR THE PRODUCTION OF SAID OPTICAL ARTICLE | MITSUI CHEMICALS INC (JP) | 2018-11-07 | — | — | EP | disclosed |
| 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 |
| EP-2116558-B1 | POLYMERIZABLE COMPOSITION CONTAINING A CATALYST, OPTICAL MATERIAL OBTAINED FROM THE COMPOSITION, AND METHOD FOR PRODUCING THE OPTICAL MATERIAL | MITSUI CHEMICALS INC (JP) | 2017-01-18 | — | — | EP | disclosed |
| US-9527948-B2 | Polymerizable composition, optical article obtained therefrom and method for the production of said optical article | MITSUI CHEMICALS, INC. (JP) | 2016-12-27 | — | — | US | disclosed |
| CN-1198444-A | Method for producing crosslinked polyaspartic acid resin | MITSUI CHEMICALS INC (JP) | 1998-11-11 | — | — | CN | disclosed |
| EP-0866084-A2 | Production process of cross-linked polyaspartic acid resin | Mitsui Chemicals, Inc. (JP) | 1998-09-23 | — | — | EP | disclosed |
| US-5589312-A | RESIN GRAINS | FUJI PHOTO FILM CO., LTD. (JP) | 1996-12-31 | — | — | US | disclosed |
| US-5532099-A | RESIN GRAINS DISPERSED IN A NONAQUEOUS SOLVENT POLYMERIZED IN PRESENCE OF DISPERSION STABILIZING RESIN; TONER IMAGES HAVING RESIST WITH ETCHING RESISTANCE | FUJI PHOTO FILM CO., LTD. (JP) | 1996-07-02 | — | — | US | disclosed |
| EP-0678552-A1 | Process for the preparation of modified polybutylene terephthalate resin | POLYPLASTICS CO. LTD. (JP) | 1995-10-25 | — | — | EP | disclosed |
| US-5356748-A | Nonaqueous solvent containing dispersed resin grains and graft polymer stabilizer | FUJI PHOTO FILM CO., LTD. (JP) | 1994-10-18 | — | — | US | disclosed |
| US-5308730-A | Liquid developer for electrostatic photography | FUJI PHOTO FILM CO., LTD. (JP) | 1994-05-03 | — | — | US | disclosed |