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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.30 |
| ▸ | ACHE | P22303 | 2/20 | 0.30 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL313063 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL8068553 | 0.93 | KMT2A (0.36) | KMT2ABCHEACHEPABPC1KDM4E | |
| SCHEMBL28622909 | 0.93 | KMT2A (0.36) | KMT2ABCHEACHEPABPC1KDM4E | |
| Hydrochloric Acid SCHEMBL28191827 | 0.90 | KMT2A (0.34) | KMT2A | |
| SCHEMBL9768846 | 0.79 | — | — | |
| Toluene SCHEMBL27988673 | 0.77 | LMNA (0.50) | KMT2AACHEPABPC1KDM4E | |
| SCHEMBL11047060 | 0.76 | KMT2A (0.32) | KMT2A | |
| Toluene SCHEMBL27988919 | 0.75 | LMNA (0.48) | KMT2AACHEPABPC1KDM4E | |
| Hydrochloric Acid SCHEMBL5533668 | 0.73 | KMT2A (0.32) | KMT2A | |
| SCHEMBL12615013 | 0.73 | KMT2A (0.32) | KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-106124763-A | For diagnosing the biomarker combinations thing of cervicitis and cervical cancer | 上海阿趣生物科技有限公司 | 2016-11-16 | — | — | CN | disclosed |