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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 2/20 | 0.37 |
| ▸ | ALB | P02768 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | VCAM1 | P19320 | 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 | |
|---|---|---|---|---|
| SCHEMBL2011602 | 0.80 | TTR (0.40) | TTRALBMEN1KMT2AEGLN2 | |
| SCHEMBL3182180 | 0.80 | TTR (0.40) | TTRALBMEN1KMT2AEGLN2 | |
| Hydrochloric Acid SCHEMBL9495207 | 0.78 | TTR (0.39) | TTRALBMEN1KMT2AEGLN2 | |
| SCHEMBL934419 | 0.74 | CYP3A4 (0.55) | TTRALBMEN1KMT2AEGLN2 | |
| SCHEMBL30407999 | 0.74 | CYP3A4 (0.55) | TTRALBMEN1KMT2AEGLN2 | |
| SCHEMBL24022776 | 0.70 | TTR (0.43) | TTRALBMEN1KMT2AEGLN2 | |
| SCHEMBL6744371 | 0.70 | TTR (0.33) | TTRALBMEN1KMT2AEGLN2 | |
| SCHEMBL22032834 | 0.70 | TTR (0.43) | TTRALBMEN1KMT2AEGLN2 | |
| SCHEMBL30345274 | 0.70 | TTR (0.43) | TTRALBMEN1KMT2AEGLN2 | |
| SCHEMBL29791324 | 0.70 | ALDH1A1 (0.57) | TTRALBMEN1KMT2AEGLN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101679408-B | Bicyclic heterocyclic compounds as FGFR inhibitors | ASTEX THERAPEUTICS LTD. (GB) | 2016-04-27 | — | — | CN | disclosed |
| CN-101679408-A | Bicyclic heterocyclic compounds as FGFR inhibitors | ASTEX THERAPEUTICS LTD | 2010-03-24 | — | — | CN | disclosed |