Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
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 | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 3/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | PAM | P19021 | 1/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.44 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 SCHEMBL8679126 | 1.00 | CHRM2 (0.50) | CHRM2CHRM1CHRM3HTR2AIDO1 | |
| SCHEMBL5168468 | 0.98 | CHRM2 (0.51) | CHRM2CHRM1CHRM3HTR2AIDO1 | |
| SCHEMBL12970937 | 0.98 | CHRM2 (0.51) | CHRM2CHRM1CHRM3HTR2AIDO1 | |
| Hydrochloric Acid SCHEMBL8197750 | 0.96 | CHRM2 (0.50) | CHRM2CHRM1CHRM3HTR2AIDO1 | |
| Hydrochloric Acid SCHEMBL4107880 | 0.96 | CHRM2 (0.50) | CHRM2CHRM1CHRM3HTR2AIDO1 | |
| SCHEMBL2820815 | 0.87 | CHRM2 (0.44) | CHRM2CHRM1CHRM3HTR2AIDO1 | |
| SCHEMBL3265505 | 0.87 | CHRM2 (0.44) | CHRM2CHRM1CHRM3HTR2AIDO1 | |
| SCHEMBL2744951 | 0.86 | HTR2A (0.50) | HTR2AIDO1PAMCHRNB4CHRNA3 | |
| SCHEMBL27506988 | 0.81 | HTR2A (0.46) | CHRM2CHRM1CHRM3HTR2AIDO1 | |
| Ammonia Solution, Strong SCHEMBL27572180 | 0.80 | CHRM2 (0.49) | CHRM2CHRM1CHRM3IDO1PAM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0732625-B1 | Stabilization of liquid radiation-curable compositions against premature polymerization | VANTICO AG (CH) | 2001-09-12 | — | — | EP | disclosed |
| US-5783358-A | BASE ION EXCHAGER CONTACTED WITH CATIONIC POLYMERIZABLE COMPOUND CONTAINING PHOTOINITIATOR | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1998-07-21 | — | — | US | disclosed |
| EP-0732625-A2 | Stabilization of liquid radiation-curable compositions against premature polymerization | CIBA-GEIGY AG (CH) | 1996-09-18 | — | — | EP | disclosed |