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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.34 |
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 SCHEMBL8918396 | 0.89 | ALDH1A1 (0.34) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| Hydrochloric Acid SCHEMBL8918393 | 0.87 | NPC1 (0.41) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| Hydrochloric Acid SCHEMBL7939285 | 0.86 | CYP1A2 (0.32) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL540419 | 0.78 | ALDH1A1 (0.41) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| Methane SCHEMBL7937829 | 0.74 | ALDH1A1 (0.38) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| Hydrochloric Acid SCHEMBL7931277 | 0.73 | ALDH1A1 (0.39) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5346997 | 0.72 | ALDH1A1 (0.45) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| Hydrochloric Acid SCHEMBL7940371 | 0.71 | CYP1A2 (0.32) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7939287 | 0.71 | PDE10A (0.36) | ALDH1A1RAB9A | |
| SCHEMBL27340069 | 0.71 | ALDH1A1 (0.33) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 |
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 |