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 | |
|---|---|---|---|---|
| ▸ | PSIP1 | O75475 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL330886 | 0.91 | LMNA (0.54) | LMNACYP3A4CYP2D6MAPK1THPO | |
| SCHEMBL332017 | 0.88 | PSIP1 (0.45) | PSIP1LMNACYP3A4CYP2D6MAPK1 | |
| SCHEMBL330936 | 0.88 | PSIP1 (0.45) | PSIP1LMNACYP3A4CYP2D6MAPK1 | |
| SCHEMBL331068 | 0.84 | TDP1 (0.42) | PSIP1LMNACYP3A4CYP2D6MAPK1 | |
| Tetrylammonium SCHEMBL1815475 | 0.84 | PSIP1 (0.50) | PSIP1LMNACYP3A4CYP2D6MAPK1 | |
| SCHEMBL21331731 | 0.82 | LMNA (0.55) | PSIP1LMNACYP3A4CYP2D6MAPK1 | |
| SCHEMBL330745 | 0.81 | PSIP1 (0.39) | PSIP1TDP1SMN1; SMN2CA12CA2 | |
| SCHEMBL125687 | 0.81 | APOBEC3A (0.46) | PSIP1LMNAMAPK1TDP1ALDH1A1 | |
| SCHEMBL330926 | 0.81 | TSHR (0.61) | PSIP1LMNACYP2D6MAPK1HTR6 | |
| SCHEMBL330822 | 0.80 | APOBEC3G (0.56) | PSIP1LMNACYP3A4CYP2D6MAPK1 |
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 |