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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | CASP1 | P29466 | 2/20 | 0.31 |
| ▸ | CASP7 | P55210 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7940441 | 0.86 | NPC1 (0.34) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7931277 | 0.85 | ALDH1A1 (0.39) | CYP1A2CYP2A6HSP90AA1PAX8ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7940371 | 0.83 | CYP1A2 (0.32) | CYP1A2CYP2A6HSP90AA1PAX8PDE10A | |
| Hydrochloric Acid SCHEMBL7939287 | 0.79 | PDE10A (0.36) | CYP1A2PDE10AALDH1A1MAPK1MEN1 | |
| Hydrochloric Acid SCHEMBL8915890 | 0.75 | EDNRB (0.38) | PDE10AHTR2C | |
| Hydrochloric Acid SCHEMBL5352654 | 0.74 | HTR2A (0.47) | PDE10AALDH1A1HPGDPOLB | |
| Hydrochloric Acid SCHEMBL9125699 | 0.73 | HTR6 (0.35) | — | |
| SCHEMBL1901417 | 0.73 | HSP90AA1 (0.38) | CYP1A2CYP2A6HSP90AA1PAX8ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7942596 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL8580687 | 0.72 | GRM5 (0.38) | HTT |
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-1123938-A2 | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 2001-08-16 | — | — | EP | disclosed |
| EP-0672675-A1 | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 1995-09-20 | — | — | EP | disclosed |
| US-5451649-A | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 1995-09-19 | — | — | US | disclosed |