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 | |
|---|---|---|---|---|
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | APEX1 | P27695 | 3/20 | 0.35 |
| ▸ | ACHE | P22303 | 3/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL17937796 | 0.98 | LMNA (0.41) | APAF1HSP90AA1RAD52LMNADNM1 | |
| SCHEMBL17937629 | 0.88 | DNM1 (0.44) | APAF1HSP90AA1RAD52LMNADNM1 | |
| Water SCHEMBL3346699 | 0.83 | APAF1 (0.39) | APAF1HSP90AA1RAD52LMNADNM1 | |
| Hydrochloric Acid SCHEMBL10790008 | 0.82 | DNM1 (0.54) | APAF1HSP90AA1RAD52LMNADNM1 | |
| SCHEMBL1135891 | 0.80 | LMNA (0.39) | APAF1HSP90AA1RAD52LMNADNM1 | |
| SCHEMBL431790 | 0.79 | LMNA (0.31) | LMNA | |
| SCHEMBL702188 | 0.79 | LMNA (0.31) | LMNA | |
| SCHEMBL17937565 | 0.79 | DNM1 (0.39) | APAF1HSP90AA1RAD52LMNADNM1 | |
| Hydrochloric Acid SCHEMBL1339743 | 0.78 | APEX1 (0.42) | APAF1HSP90AA1RAD52LMNADNM1 | |
| Bromide SCHEMBL30494329 | 0.78 | MEN1 (0.42) | APAF1HSP90AA1RAD52LMNADNM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20100159392-A1 | PATTERNING PROCESS AND RESIST COMPOSITION | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2010-06-24 | — | — | US | disclosed |
| US-20100086878-A1 | PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2010-04-08 | — | — | US | disclosed |