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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.90 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.90 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.90 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.52 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL3139 | 1.00 | ALDH1A1 (0.90) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| Water SCHEMBL27674361 | 0.97 | ALDH1A1 (0.85) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| Ammonia Solution, Strong SCHEMBL27336160 | 0.97 | ALDH1A1 (0.85) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| Water SCHEMBL11251666 | 0.97 | KDM4E (0.85) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| Ammonia Solution, Strong SCHEMBL27549344 | 0.97 | ALDH1A1 (0.85) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| Water SCHEMBL6841853 | 0.97 | ALDH1A1 (0.85) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| Water SCHEMBL11243425 | 0.97 | KDM4E (0.85) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| Water SCHEMBL6859263 | 0.97 | KDM4E (0.85) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| Hydrogen Sulfide SCHEMBL5998720 | 0.97 | ALDH1A1 (0.94) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| SCHEMBL1484108 | 0.97 | ALDH1A1 (0.94) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101357993-B | Multi-stage method of preparing organopolysiloxane containing amino alkyl group | WACKER POLYMER SYSTEMS GMBH (DE) | 2012-02-08 | — | — | CN | disclosed |
| CN-101357993-A | Multi-stage method of preparing organopolysiloxane containing amino alkyl group | WACKER CHEMIE AG (DE) | 2009-02-04 | — | — | CN | disclosed |
| US-6787124-B2 | HAS THE STRUCTURE OF THE-PREVIOUSLY HYPOTHETICAL POLYMORPH C OF ZEOLITE BETA AND IN PARTICULAR IS COMPOSED OF THREE SETS OF LINEAR 12-MEMBERED RING CHANNELS. | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY | 2004-09-07 | — | — | US | disclosed |