Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| Water SCHEMBL16716815 | 1.00 | — | — | |
| SCHEMBL6928129 | 0.95 | TSHR (0.50) | — | |
| SCHEMBL16034529 | 0.95 | TSHR (0.50) | — | |
| SCHEMBL34839 | 0.95 | — | — | |
| SCHEMBL3361189 | 0.90 | — | — | |
| Potassium Ion SCHEMBL8720018 | 0.90 | TSHR (0.46) | — | |
| Water SCHEMBL22581620 | 0.90 | KDM4E (0.46) | — | |
| Fluoride SCHEMBL22288153 | 0.90 | — | — | |
| Water SCHEMBL22581608 | 0.90 | KDM4E (0.46) | — | |
| Water SCHEMBL28765202 | 0.90 | — | — |
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-2213674-B1 | PURIFICATION METHOD OF PEMETREXED SALTS,SODIUM SALTS AND DISODIUM SALTS | CHONGQING PHARM RES INST CO (CN) | 2012-03-07 | — | — | EP | claimed |
| US-20100305319-A1 | METHOD OF PURIFYING A SALT, SODIUM SALT AND DISODIUM SALT OF PEMETREXED | Chongquing Pharmaceutical Research Institute Co. ltd (CN) | 2010-12-02 | — | — | US | claimed |
| EP-2213674-A1 | PURIFICATION METHOD OF PEMETREXED SALTS,SODIUM SALTS AND DISODIUM SALTS | Chongqing Pharmaceutical Research Institute Co., Ltd. (CN) | 2010-08-04 | — | — | EP | claimed |
| EP-2213674-B1 | PURIFICATION METHOD OF PEMETREXED SALTS,SODIUM SALTS AND DISODIUM SALTS | CHONGQING PHARM RES INST CO (CN) | 2012-03-07 | — | — | EP | disclosed |
| US-20100305319-A1 | METHOD OF PURIFYING A SALT, SODIUM SALT AND DISODIUM SALT OF PEMETREXED | Chongquing Pharmaceutical Research Institute Co. ltd (CN) | 2010-12-02 | — | — | US | disclosed |
| EP-2213674-A1 | PURIFICATION METHOD OF PEMETREXED SALTS,SODIUM SALTS AND DISODIUM SALTS | Chongqing Pharmaceutical Research Institute Co., Ltd. (CN) | 2010-08-04 | — | — | EP | disclosed |