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 | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | AGXT | P21549 | 2/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8527468 | 0.96 | IDO1 (0.48) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL4795994 | 0.82 | TSHR (0.41) | ALDH1A1ALOX15TSHRCHRNB4CHRNA3 | |
| SCHEMBL5675685 | 0.81 | IDO1 (0.50) | IDO1CA12CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL4803008 | 0.79 | KDM4E (0.44) | ALDH1A1TP53TSHRSMN1; SMN2CHRNB4 | |
| Hydrochloric Acid SCHEMBL10527448 | 0.79 | IDO1 (0.48) | IDO1CA12CA1CA2CA7 | |
| Water SCHEMBL8529232 | 0.79 | LTA4H (0.50) | LTA4HTSHRCHRNB4CHRNA3CHRNA7 | |
| SCHEMBL5679280 | 0.79 | IDO1 (0.44) | IDO1CA12CA1CA2CA7 | |
| Water SCHEMBL9858178 | 0.76 | IDO1 (0.42) | IDO1AGXTTAAR1ALDH1A1TSHR | |
| SCHEMBL16187145 | 0.76 | IDO1 (0.54) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL15504886 | 0.75 | TP53 (0.43) | IDO1CA2TAAR1ALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0609455-B1 | PROCESS FOR PRODUCING CRESOLS | SUMITOMO CHEMICAL CO (JP) | 1998-03-11 | — | — | EP | disclosed |
| US-5600026-A | PREVENTING THE FORMATION OF FORMALDEHYDE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-02-04 | — | — | US | disclosed |
| EP-0609455-A1 | PROCESS FOR PRODUCING CRESOLS | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1994-08-10 | — | — | EP | disclosed |