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 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.37 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28385299 | 0.98 | KDM4E (0.48) | KDM4EALDH1A1TDP1DNM1TP53 | |
| Fluoride SCHEMBL28344210 | 0.96 | KDM4E (0.46) | KDM4EALDH1A1TDP1DNM1TP53 | |
| Hydrochloric Acid SCHEMBL11245196 | 0.96 | KDM4E (0.52) | KDM4EALDH1A1TDP1DNM1TP53 | |
| Bromide SCHEMBL11785608 | 0.96 | DNM1 (0.47) | KDM4EALDH1A1TDP1DNM1TP53 | |
| Fluoride Ion SCHEMBL8153068 | 0.94 | KDM4E (0.45) | KDM4EALDH1A1TDP1DNM1TP53 | |
| Fluoride Ion SCHEMBL8153065 | 0.94 | KDM4E (0.45) | KDM4EALDH1A1TDP1DNM1TP53 | |
| Fluoride Ion SCHEMBL5371566 | 0.94 | KDM4E (0.45) | KDM4EALDH1A1TDP1DNM1TP53 | |
| SCHEMBL4134039 | 0.90 | KDM4E (0.42) | KDM4EALDH1A1TDP1DNM1TP53 | |
| SCHEMBL31325832 | 0.86 | LMNA (0.39) | KDM4EALDH1A1TDP1DNM1TP53 | |
| SCHEMBL31325828 | 0.84 | MAOB (0.45) | KDM4EALDH1A1TDP1DNM1TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5128164-A | Sweeteners for foods and beverages | SOUTH AFRICAN INVENTIONS DEVELOPMENT CORPORATION (ZA) | 1992-07-07 | — | — | US | disclosed |
| US-4975298-A | Sweetners for foods and beverages | SOUTH AFRICAN INVENTIONS DEVELOPMENT CORPORATION (ZA) | 1990-12-04 | — | — | US | disclosed |