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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.47 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL1269439 | 0.97 | KDM4E (0.54) | KDM4EALDH1A1TDP1CYP1A2TP53 | |
| Hydrochloric Acid SCHEMBL1241484 | 0.95 | KDM4E (0.58) | KDM4EALDH1A1TDP1CYP1A2TP53 | |
| Water SCHEMBL160569 | 0.95 | KDM4E (0.52) | KDM4EALDH1A1TDP1CYP1A2TP53 | |
| Bromide SCHEMBL5088423 | 0.95 | KDM4E (0.52) | KDM4EALDH1A1TDP1CYP1A2TP53 | |
| Water SCHEMBL11057284 | 0.95 | KDM4E (0.52) | KDM4EALDH1A1TDP1CYP1A2TP53 | |
| Iodide SCHEMBL5093184 | 0.95 | KDM4E (0.52) | KDM4EALDH1A1TDP1CYP1A2TP53 | |
| Water SCHEMBL1973852 | 0.95 | KDM4E (0.52) | KDM4EALDH1A1TDP1CYP1A2TP53 | |
| Bromide SCHEMBL3646711 | 0.93 | CHRNA7 (0.50) | KDM4EALDH1A1TDP1CYP1A2TP53 | |
| Water SCHEMBL28156661 | 0.93 | KDM4E (0.50) | KDM4EALDH1A1TDP1CYP1A2TP53 | |
| Ammonia Solution, Strong SCHEMBL27538381 | 0.93 | KDM4E (0.50) | KDM4EALDH1A1TDP1CYP1A2TP53 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106145155-B | A kind of method preparing high silica alumina ratio Y type molecular sieve, product and its application | 中国科学院大连化学物理研究所 | 2019-02-15 | — | — | CN | claimed |
| CN-106145155-A | A kind of prepare the method for high silica alumina ratio Y type molecular sieve, product and application thereof | 中国科学院大连化学物理研究所 | 2016-11-23 | — | — | CN | disclosed |
| CN-1043881-C | Process for production of cresols | SUMITOMO CHEMICAL CO (JP) | 1999-06-30 | — | — | CN | disclosed |
| EP-0609455-B1 | PROCESS FOR PRODUCING CRESOLS | SUMITOMO CHEMICAL CO (JP) | 1998-03-11 | — | — | EP | disclosed |
| US-5600026-A | PREVENTING THE FORMATION OF FORMALDEHYDE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-02-04 | — | — | US | disclosed |
| EP-0609455-A1 | PROCESS FOR PRODUCING CRESOLS | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1994-08-10 | — | — | EP | disclosed |
| CN-1079952-A | The production technique of cresols | SUMITOMO CHEMICAL CO (JP) | 1993-12-29 | — | — | CN | disclosed |
| US-4459186-A | Electrochemical oxidation of alkyl aromatic compounds | UOP INC. (US) | 1984-07-10 | — | — | US | disclosed |
| US-4374042-A | QUATERNARY AMMONIUM COMPOUND AND AN ORGANIC IONIC COMPOUND | UOP INC. (US) | 1983-02-15 | — | — | US | disclosed |
| US-4360421-A | Method for treating mercaptans contained in a sour petroleum distillate | UOP INC. (US) | 1982-11-23 | — | — | US | disclosed |
| US-4354904-A | Electrochemical oxidation of alkyl aromatic compounds | UOP INC. (US) | 1982-10-19 | — | — | US | disclosed |
| US-4320029-A | Catalytic composite, method of manufacture, and process for use | UOP INC. (US) | 1982-03-16 | — | — | US | disclosed |
| US-4308169-A | TREATMENT WITH AQUEOUS SOLUTION OF QUATERNARY AMMONIUM COMPOUND AND LINEAR IONIC COMPOUND | UOP INC. (US) | 1981-12-29 | — | — | US | disclosed |
| US-4299729-A | TREATING WITH AN AMMONIACAL SOLUTION OF A METAL CHELATE AND AN AQUEOUS SOLUTION OF A QUATERNARY AMMONIUM COMPOUND | UOP INC. (US) | 1981-11-10 | — | — | US | disclosed |
| US-4298463-A | Method of treating a sour petroleum distillate | UOP INC. (US) | 1981-11-03 | — | — | US | disclosed |
| US-4213877-A | Method of reactivating a catalytic composite of an adsorptive carrier material and a mercaptan oxidation catalyst | UOP INC. (US) | 1980-07-22 | — | — | US | disclosed |
| US-4203827-A | Process for treating sour petroleum distillates | UOP INC. (US) | 1980-05-20 | — | — | US | disclosed |