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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APAF1 | O14727 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | RAD52 | P43351 | 1/20 | 0.45 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.44 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 7/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
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 SCHEMBL9248703 | 1.00 | APAF1 (0.45) | APAF1HSP90AA1RAD52BBOX1DNM1 | |
| Water SCHEMBL9245748 | 1.00 | APAF1 (0.45) | APAF1HSP90AA1RAD52BBOX1DNM1 | |
| Water SCHEMBL9248592 | 1.00 | APAF1 (0.45) | APAF1HSP90AA1RAD52BBOX1DNM1 | |
| Water SCHEMBL9243265 | 1.00 | APAF1 (0.45) | APAF1HSP90AA1RAD52BBOX1DNM1 | |
| Water SCHEMBL9241558 | 1.00 | APAF1 (0.45) | APAF1HSP90AA1RAD52BBOX1DNM1 | |
| SCHEMBL10438439 | 0.98 | BBOX1 (0.46) | BBOX1DNM1HTTSPHK2SPHK1 | |
| SCHEMBL10438371 | 0.98 | BBOX1 (0.46) | BBOX1DNM1HTTSPHK2SPHK1 | |
| SCHEMBL10438442 | 0.98 | BBOX1 (0.46) | BBOX1DNM1HTTSPHK2SPHK1 | |
| SCHEMBL10438374 | 0.98 | BBOX1 (0.46) | BBOX1DNM1HTTSPHK2SPHK1 | |
| SCHEMBL10608585 | 0.98 | BBOX1 (0.46) | BBOX1DNM1HTTSPHK2SPHK1 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5401390-A | Oxidation of mercaptans to disulfides | UOP (US) | 1995-03-28 | — | — | US | disclosed |
| EP-0499743-B1 | Two step process for sweetening a sour hydrocarbon fraction | UOP INC (US) | 1994-07-20 | — | — | EP | disclosed |
| US-5318936-A | Metal chelate dispersed on catalyst support; layered double hydroxide; for oxidizing mercaptans to disulfides | UOP (US) | 1994-06-07 | — | — | US | disclosed |
| US-5286372-A | Catalyst is composed of metal chelate dispersed on basic support which is either a solid solution of metal oxides or a layered double hydroxide | UOP (US) | 1994-02-15 | — | — | US | disclosed |
| US-5273646-A | Adding aqueous ammonium hydroxide, metal chelate and an onium compound to the hydrocarbon fraction containing an oxidizer and base | UOP (US) | 1993-12-28 | — | — | US | disclosed |
| US-5232887-A | Metal chelate diispersed on a metal oxide or layered double hydroxide support | UOP (US) | 1993-08-03 | — | — | US | disclosed |
| US-5204306-A | Oxidizing mercaptans to disulfides with metal chelate catalyst and an onium component | UOP (US) | 1993-04-20 | — | — | US | disclosed |
| US-5180484-A | Oxidation in presence of ammonium hydroxide, metal chelate and onium compound | UOP (US) | 1993-01-19 | — | — | US | disclosed |
| EP-0499743-A1 | Two step process for sweetening a sour hydrocarbon fraction | UOP (US) | 1992-08-26 | — | — | EP | disclosed |
| US-5093296-A | Caustic free liquid/liquid process for sweetening a sour hydrocarbon fraction | UOP (US) | 1992-03-03 | — | — | US | disclosed |
| US-4923596-A | SYNERGISTIC EFFECT WITH METAL CHELATE; PETROLEUM | UOP (US) | 1990-05-08 | — | — | US | disclosed |
| US-4913802-A | OXIDIZING MERCAPTAN TO DISULFIDES USING AMMONIUM HYDROXIDE AND A QUATERNARY AMMONIUM HYDROXIDE WITH CATALYTIC COMPOSITE | UOP (US) | 1990-04-03 | — | — | US | disclosed |
| US-4354926-A | Catalytic composite and process for use | UOP INC. (US) | 1982-10-19 | — | — | US | disclosed |
| US-4337147-A | Catalytic composite and process for use | UOP INC. (US) | 1982-06-29 | — | — | US | disclosed |
| US-4324650-A | SWEETENING SOUR OILS BY CATALYTIC OXIDATION | UOP INC. (US) | 1982-04-13 | — | — | US | disclosed |
| US-4295993-A | METAL CHELATE, QUATERNARY AMMONIUM HYDROXIDE, 1A HYDROXIDE, SWEETENING, OXIDATION | UOP INC. (US) | 1981-10-20 | — | — | US | disclosed |
| US-4290917-A | Method of manufacturing a catalytic composite | UOP INC. (US) | 1981-09-22 | — | — | US | disclosed |
| US-4290913-A | Catalytic composite useful for the treatment of mercaptan-containing sour petroleum distillate | UOP INC. (US) | 1981-09-22 | — | — | US | disclosed |
| US-4290916-A | MOLECULAR SEIVES, QUATERNARY AMMONIUM COMPOUND, CHELATE, ALKALI METAL HYDROXIDE | UOP INC. (US) | 1981-09-22 | — | — | US | disclosed |
| US-4260479-A | Catalytic oxidation of mercaptan in sour petroleum distillate | UOP INC. (US) | 1981-04-07 | — | — | US | disclosed |