Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 | |
|---|---|---|---|---|
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL229800 | 0.94 | KDM4E (0.71) | ALDH1A1KDM4ETDP1CYP3A4GAA | |
| Sulfuric Acid SCHEMBL7637641 | 0.92 | KDM4E (0.68) | ALDH1A1KDM4ETDP1CYP3A4GAA | |
| Sulfuric Acid SCHEMBL229801 | 0.90 | KDM4E (0.65) | ALDH1A1KDM4ETDP1CYP3A4GAA | |
| Thiosulfuric Acid SCHEMBL8424194 | 0.90 | KDM4E (0.65) | ALDH1A1KDM4ETDP1CYP3A4GAA | |
| SCHEMBL330945 | 0.90 | KDM4E (0.65) | ALDH1A1KDM4ETDP1CYP3A4GAA | |
| SCHEMBL331216 | 0.88 | ALDH1A1 (0.63) | ALDH1A1KDM4ETDP1CYP3A4GAA | |
| SCHEMBL332134 | 0.88 | KDM4E (0.68) | ALDH1A1KDM4ETDP1CYP3A4CA2 | |
| Sulfuric Acid SCHEMBL229799 | 0.85 | KDM4E (0.71) | ALDH1A1KDM4ETDP1CYP3A4CA2 | |
| Vinylsulfonic Acid SCHEMBL9519686 | 0.85 | ALDH1A1 (0.59) | ALDH1A1KDM4ETDP1CYP3A4GAA | |
| Trifluoromethanesulfonic Acid SCHEMBL1130294 | 0.85 | ALDH1A1 (0.59) | ALDH1A1KDM4ETDP1CYP3A4GAA |
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-1680806-A4 | CLEANING SOLUTIONS AND ETCHANTS AND METHODS FOR USING SAME | SACHEM INC (US) | 2008-07-30 | — | — | EP | disclosed |
| US-7192910-B2 | Cleaning solutions and etchants and methods for using same | SACHEM, INC. (US) | 2007-03-20 | — | — | US | disclosed |
| EP-1680806-A2 | CLEANING SOLUTIONS AND ETCHANTS AND METHODS FOR USING SAME | Sachem, Inc. (US) | 2006-07-19 | — | — | EP | disclosed |
| US-20050143270-A1 | Cleaning solutions and etchants and methods for using same | SACHEM, INC. | 2005-06-30 | — | — | US | disclosed |
| WO-2005045895-A2 | CLEANING SOLUTIONS AND ETCHANTS AND METHODS FOR USING SAME | SACHEM, INC. (US) | 2005-05-19 | — | — | WO | disclosed |