Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. 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 | 2/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7887989 | 0.94 | ALDH1A1 (0.50) | ALDH1A1TAAR1MAPK1CYP1A2CYP3A4 | |
| Water SCHEMBL27532161 | 0.94 | ALDH1A1 (0.50) | ALDH1A1TAAR1MAPK1CYP1A2CYP3A4 | |
| Tetraphenylphosphonium SCHEMBL126056 | 0.85 | HIF1A (0.47) | ALDH1A1MAPK1CYP1A2HSD17B10TDP1 | |
| SCHEMBL24062596 | 0.84 | ALDH1A1 (0.39) | ALDH1A1TAAR1MAPK1CYP1A2CYP3A4 | |
| Tetraphenylphosphonium SCHEMBL7934968 | 0.82 | HIF1A (0.45) | ALDH1A1MAPK1CYP1A2CYP3A4HSD17B10 | |
| Tetraphenylphosphonium SCHEMBL7931802 | 0.82 | HIF1A (0.45) | ALDH1A1MAPK1CYP1A2HSD17B10TDP1 | |
| Tetraphenylphosphonium SCHEMBL7062601 | 0.82 | HIF1A (0.45) | ALDH1A1MAPK1CYP1A2HSD17B10TDP1 | |
| Tetraphenylphosphonium SCHEMBL27987976 | 0.82 | HIF1A (0.45) | ALDH1A1MAPK1CYP1A2HSD17B10TDP1 | |
| Tetraphenylphosphonium SCHEMBL28003362 | 0.82 | HIF1A (0.45) | ALDH1A1MAPK1CYP1A2HSD17B10TDP1 | |
| Tetraphenylphosphonium SCHEMBL27998961 | 0.82 | HIF1A (0.45) | ALDH1A1MAPK1CYP1A2HSD17B10TDP1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0834496-B1 | Preparation of diaryl carbonate | UBE INDUSTRIES (JP) | 2001-08-16 | — | — | EP | disclosed |
| EP-0834495-B1 | Process for preparing diaryl carbonate | UBE INDUSTRIES (JP) | 2000-12-27 | — | — | EP | disclosed |
| US-5892091-A | PHOSPHOROUS CATALYSTS AND HALOGEN ATOMS | UBE INDUSTRIES, LTD. (JP) | 1999-04-06 | — | — | US | disclosed |
| US-5892089-A | FROM DIARYL OXALATE IN LIQUID PHASE BY DECARBONYLATION USING ORGANIC PHOSHORUS COMPOUND CATALYST | UBE INDUSTRIES, LTD. (JP) | 1999-04-06 | — | — | US | disclosed |
| EP-0737665-B1 | Process for preparation of diaryl carbonate | UBE INDUSTRIES (JP) | 1998-10-21 | — | — | EP | disclosed |
| US-5792883-A | Preparation of diaryl carbonate | UBE INDUSTRIES, LTD. (JP) | 1998-08-11 | — | — | US | disclosed |
| EP-0834496-A1 | Preparation of diaryl carbonate | UBE INDUSTRIES, LTD. (JP) | 1998-04-08 | — | — | EP | disclosed |
| EP-0834495-A1 | Process for preparing diaryl carbonate | UBE INDUSTRIES, LTD. (JP) | 1998-04-08 | — | — | EP | disclosed |
| EP-0826658-A1 | Catalyst for decarbonylation reaction | UBE INDUSTRIES, LTD. (JP) | 1998-03-04 | — | — | EP | disclosed |
| US-5648510-A | DECARBONYLATION OF OXALATE | UBE INDUSTRIES, LTD. (JP) | 1997-07-15 | — | — | US | disclosed |
| EP-0737665-A1 | Process for preparation of diaryl carbonate | UBE INDUSTRIES, LTD. (JP) | 1996-10-16 | — | — | EP | disclosed |