Known targets — ChEMBL curated mechanism
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.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.52 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.52 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.52 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL2863467 | 1.00 | HTR6 (0.52) | HTR6DUSP3PTPN5PTPN11CA2 | |
| SCHEMBL597671 | 0.97 | HTR6 (0.55) | HTR6DUSP3PTPN5PTPN11CA2 | |
| SCHEMBL6740023 | 0.97 | HTR6 (0.55) | HTR6DUSP3PTPN5PTPN11CA2 | |
| SCHEMBL3409456 | 0.97 | HTR6 (0.55) | HTR6DUSP3PTPN5PTPN11CA2 | |
| SCHEMBL1981609 | 0.97 | HTR6 (0.55) | HTR6DUSP3PTPN5PTPN11CA2 | |
| SCHEMBL28929 | 0.97 | HTR6 (0.55) | HTR6DUSP3PTPN5PTPN11CA2 | |
| SCHEMBL11761400 | 0.97 | HTR6 (0.55) | HTR6DUSP3PTPN5PTPN11CA2 | |
| SCHEMBL28477667 | 0.97 | HTR6 (0.55) | HTR6DUSP3PTPN5PTPN11CA2 | |
| Water SCHEMBL8617713 | 0.94 | HTR6 (0.52) | HTR6DUSP3PTPN5PTPN11CA2 | |
| Water SCHEMBL22581636 | 0.94 | ALDH1A1 (0.55) | HTR6DUSP3PTPN5PTPN11CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6962628-B1 | Method of treating epoxy resin-cured product | HITACHI CHEMICAL CO., LTD. (JP) | 2005-11-08 | — | — | US | disclosed |
| CN-1145606-C | 2-aminotetralines, process for their preparation, and pharmaceutical compositions, for prevention and therapeutic treatment of inflammatory and/or autoimmune pathologies | ϣ��������ҩ��ҵ��˾ | 2004-04-14 | — | — | CN | disclosed |
| CN-1276721-A | Use of 6,7-substd. 2-aminotetralines suitable for preparing pharmaceutical composition for therapeutic treatment of inflammatory and/or autoimmune pathologies | SIGMA TAU IND FARMACEUTI (IT) | 2000-12-13 | — | — | CN | disclosed |
| CN-1276782-A | 2-amino-1, 2,3, 4-tetrahydronaphthalene, process for its preparation and pharmaceutical compositions for the prevention and treatment of inflammatory and/or autoimmune diseases | SIGMA TAU IND FARMACEUTI (IT) | 2000-12-13 | — | — | CN | disclosed |
| US-4693848-A | SALT FORMATION | BASF AKTIENGESELLSCHAFT (DE) | 1987-09-15 | — | — | US | disclosed |
| US-4588531-A | Preparation of alkali metal and alkaline earth metal salts of acyloxybenzenesulfonic acids | BASF AKTIENGESELLSCHAFT (DE) | 1986-05-13 | — | — | US | disclosed |