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 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 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 SCHEMBL16320768 | 0.80 | MDM2 (0.47) | ALDH1A1RAB9ANPC1MAPTLMNA | |
| SCHEMBL5144207 | 0.80 | LMNA (0.44) | ALDH1A1HSD17B10TSHRRAB9ANPC1 | |
| Iodide SCHEMBL11214733 | 0.78 | LMNA (0.42) | ALDH1A1HSD17B10TSHRRAB9ANPC1 | |
| SCHEMBL2221653 | 0.78 | MDM2 (0.48) | ALDH1A1RAB9ANPC1MAPTLMNA | |
| SCHEMBL3822745 | 0.76 | SRD5A2 (0.57) | ALDH1A1HSD17B10HDAC1RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL2356480 | 0.76 | MDM2 (0.47) | ALDH1A1RAB9ANPC1MAPTLMNA | |
| Iodide SCHEMBL2353850 | 0.76 | MDM2 (0.47) | ALDH1A1RAB9ANPC1MAPTLMNA | |
| Bromide SCHEMBL2356766 | 0.76 | MDM2 (0.47) | ALDH1A1RAB9ANPC1MAPTLMNA | |
| SCHEMBL11122619 | 0.75 | ALDH1A1 (0.49) | ALDH1A1HDAC1LMNAMEN1HTT | |
| SCHEMBL11230342 | 0.75 | ALDH1A1 (0.51) | ALDH1A1HSD17B10TSHRHDAC1RAB9A |
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-9057959-B2 | Developer for photosensitive resist material and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2015-06-16 | — | — | US | disclosed |
| US-20140377706-A1 | DEVELOPER FOR PHOTOSENSITIVE RESIST MATERIAL AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-12-25 | — | — | US | disclosed |