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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
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 SCHEMBL216904 | 1.00 | KDM1A (0.37) | KDM1ACYP19A1CYP11B1CYP11B2 | |
| SCHEMBL7197001 | 0.96 | KDM1A (0.37) | KDM1A | |
| Bromide SCHEMBL5982095 | 0.96 | KDM1A (0.37) | KDM1A | |
| SCHEMBL7109696 | 0.91 | KDM1A (0.34) | KDM1A | |
| Hydrochloric Acid SCHEMBL1277119 | 0.88 | CYP19A1 (0.31) | KDM1ACYP19A1CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL218231 | 0.88 | CYP19A1 (0.31) | KDM1ACYP19A1CYP11B1CYP11B2 | |
| Phenol SCHEMBL2816108 | 0.88 | KDM1A (0.33) | KDM1A | |
| SCHEMBL9099568 | 0.85 | KDM1A (0.31) | KDM1A | |
| SCHEMBL7195749 | 0.84 | KDM1A (0.30) | KDM1A | |
| Trifluoromethanesulfonic Acid SCHEMBL7193813 | 0.81 | GPR3 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2173779-A2 | PROCESS TO PRODUCE POLYALPHAOLEFINS | ExxonMobil Chemical Patents Inc. (US) | 2010-04-14 | — | — | EP | disclosed |
| WO-2009017953-A2 | PROCESS TO PRODUCE POLYALPHAOLEFINS | EXXONMOBIL CHEMICAL PATENT INC. (US) | 2009-02-05 | — | — | WO | disclosed |