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 | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 5/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12558342 | 0.98 | DNM1 (0.56) | DNM1CYP1A2MEN1KMT2ATP53 | |
| Bromide SCHEMBL25285655 | 0.96 | DNM1 (0.58) | DNM1CYP1A2MEN1KMT2ATP53 | |
| Hydrochloric Acid SCHEMBL8527490 | 0.96 | MEN1 (0.58) | DNM1CYP1A2MEN1KMT2ATP53 | |
| SCHEMBL8572888 | 0.96 | DNM1 (0.55) | DNM1CYP1A2MEN1KMT2ATP53 | |
| Hexane SCHEMBL9016836 | 0.96 | DNM1 (0.59) | DNM1CYP1A2MEN1KMT2ATP53 | |
| Tetrabuthylammonium SCHEMBL9136922 | 0.94 | MEN1 (0.57) | DNM1CYP1A2MEN1KMT2ATP53 | |
| Water SCHEMBL11429534 | 0.94 | DNM1 (0.62) | DNM1CYP1A2MEN1KMT2ATP53 | |
| Water SCHEMBL187669 | 0.94 | DNM1 (0.56) | DNM1CYP1A2MEN1KMT2ATP53 | |
| Water SCHEMBL11128576 | 0.94 | DNM1 (0.56) | DNM1CYP1A2MEN1KMT2ATP53 | |
| Water SCHEMBL11440432 | 0.92 | DNM1 (0.66) | DNM1CYP1A2MEN1KMT2ATP53 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |