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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | XBP1 | P17861 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA7 | P43166 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | XDH | P47989 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL67540 | 0.84 | ALDH1A1 (0.62) | ALDH1A1MAPTMEN1KMT2AHPGD | |
| SCHEMBL588343 | 0.84 | ALDH1A1 (0.62) | ALDH1A1MAPTMEN1KMT2AHPGD | |
| SCHEMBL2823344 | 0.79 | MEN1 (0.50) | ALDH1A1MAPTMEN1KMT2AHPGD | |
| SCHEMBL30642568 | 0.79 | MEN1 (0.50) | ALDH1A1MAPTMEN1KMT2AHPGD | |
| Water SCHEMBL27623066 | 0.78 | CA1 (0.47) | ALDH1A1MAPTHPGDCA1CA2 | |
| SCHEMBL16961231 | 0.77 | ALDH1A1 (0.56) | ALDH1A1MAPTMEN1KMT2AHPGD | |
| SCHEMBL30045029 | 0.77 | TPMT (0.61) | ALDH1A1MAPTMEN1KMT2AHPGD | |
| SCHEMBL30570165 | 0.77 | CNR2 (0.56) | ALDH1A1MAPTMEN1KMT2AHPGD | |
| SCHEMBL5185978 | 0.77 | CA12 (0.73) | ALDH1A1MAPTMEN1KMT2AHPGD | |
| SCHEMBL4734613 | 0.77 | ALDH1A1 (0.56) | ALDH1A1MAPTMEN1KMT2AHPGD |
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-103201261-A | Lactam derivatives as orexin receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2013-07-10 | — | — | CN | disclosed |
| CN-102365265-A | Indane derivatives | ORGANON NV | 2012-02-29 | — | — | CN | disclosed |