Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 3/20 | 0.40 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | TNNC1 | P63316 | 5/20 | 0.39 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | GPR183 | P32249 | 1/20 | 0.39 |
| ▸ | CERS2 | Q96G23 | 1/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL11466361 | 0.89 | TSHR (0.48) | TSHRSMN1; SMN2TDP1S1PR3EPHX2 | |
| Undecane SCHEMBL28277513 | 0.87 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1S1PR3EPHX2 | |
| SCHEMBL29109146 | 0.87 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1S1PR3EPHX2 | |
| Tetradecane SCHEMBL28309580 | 0.87 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1S1PR3EPHX2 | |
| Decane SCHEMBL3917036 | 0.87 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1S1PR3EPHX2 | |
| Octane SCHEMBL8591856 | 0.87 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1S1PR3EPHX2 | |
| Heptane SCHEMBL18585529 | 0.87 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1S1PR3EPHX2 | |
| SCHEMBL29277553 | 0.87 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1S1PR3EPHX2 | |
| SCHEMBL29109142 | 0.87 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1S1PR3EPHX2 | |
| Nonane SCHEMBL28277510 | 0.87 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1S1PR3EPHX2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| US-20140327869-A1 | POLYMERIZABLE COMPOSITION, OPTICAL ARTICLE OBTAINED THEREFROM AND METHOD FOR THE PRODUCTION OF SAID OPTICAL ARTICLE | MITSUI CHEMICALS, INC. | 2014-11-06 | — | — | US | disclosed |
| EP-2780387-A1 | POLYMERIZABLE COMPOSITION, OPTICAL ARTICLE OBTAINED THEREFROM AND METHOD FOR THE PRODUCTION OF SAID OPTICAL ARTICLE | Mitsui Chemicals, Inc. (JP) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013073194-A1 | POLYMERIZABLE COMPOSITION, OPTICAL ARTICLE OBTAINED THEREFROM AND METHOD FOR THE PRODUCTION OF SAID OPTICAL ARTICLE | MITSUI CHEMICALS, INC. (JP) | 2013-05-23 | — | — | WO | disclosed |