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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10855431 | 0.86 | KDM4E (0.57) | KDM4EPOLBCHRM2MEN1KMT2A | |
| Water SCHEMBL27754448 | 0.77 | CYP4F2 (0.45) | BCHE | |
| Water SCHEMBL27599004 | 0.77 | KDM4E (0.49) | KDM4EPOLBCHRM2MEN1KMT2A | |
| SCHEMBL304695 | 0.76 | MAOA (0.72) | CHRM2MEN1KMT2AMAOAMPO | |
| SCHEMBL3977586 | 0.75 | ENPP2 (0.56) | KDM4EPOLBCHRM2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL1848160 | 0.74 | MAOA (0.69) | CHRM2MEN1KMT2AMAOAMPO | |
| SCHEMBL27645675 | 0.74 | UNG (0.61) | MEN1KMT2A | |
| SCHEMBL13391003 | 0.74 | CHRM2 (0.77) | KDM4EPOLBCHRM2MEN1KMT2A | |
| SCHEMBL10859843 | 0.74 | PDCD1 (0.53) | CHRM2MEN1KMT2AMAOACXCR4 | |
| Water SCHEMBL27498054 | 0.73 | ENPP2 (0.50) | — |
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-1474815-A | 4-amino-quinazolines | Ĭ��ר���ɷ�����˾ | 2004-02-11 | — | — | CN | disclosed |