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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 10/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.38 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29712227 | 0.97 | DNM1 (0.60) | DNM1ALDH1A1MEN1KMT2ATSHR | |
| Bromide SCHEMBL21591924 | 0.94 | DNM1 (0.62) | DNM1ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL29712240 | 0.86 | DNM1 (0.70) | DNM1ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL30848505 | 0.86 | DNM1 (0.60) | DNM1ALDH1A1MEN1KMT2ATSHR | |
| Water SCHEMBL108027 | 0.85 | DNM1 (0.75) | DNM1ALDH1A1TSHRTDP1CYP3A4 | |
| Bromide SCHEMBL21591925 | 0.84 | DNM1 (0.71) | DNM1ALDH1A1MEN1KMT2ATSHR | |
| Butylamine SCHEMBL23209722 | 0.82 | DNM1 (0.50) | DNM1ALDH1A1MEN1KMT2ATSHR | |
| Water SCHEMBL27783376 | 0.82 | DNM1 (0.71) | DNM1ALDH1A1TSHRTDP1CYP3A4 | |
| SCHEMBL29496398 | 0.82 | DNM1 (0.80) | DNM1ALDH1A1TSHRTDP1CYP3A4 | |
| Dodecylamine SCHEMBL7950250 | 0.80 | DNM1 (0.65) | DNM1ALDH1A1MEN1KMT2ATSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024063017-A1 | CARBON DIOXIDE ABSORBENT AND METHOD FOR SEPARATING AND RECOVERING CARBON DIOXIDE | 日本化学工業株式会社 | 2024-03-28 | — | — | WO | disclosed |