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 | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CES2 | O00748 | 2/20 | 0.32 |
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27740875 | 0.90 | PGR (0.33) | PGRADRA2AADRA2BHTR2AHRH1 | |
| Hydrochloric Acid SCHEMBL4459103 | 0.80 | ATM (0.35) | ATMALDH1A1CES2CES1LMNA | |
| Hydrochloric Acid SCHEMBL4454009 | 0.77 | AKR1C1 (0.39) | ALDH1A1LMNAMAPTHTTTSHR | |
| Hydrochloric Acid SCHEMBL4456013 | 0.77 | ATM (0.33) | ATMCES2CES1LMNAMTNR1A | |
| Hydrochloric Acid SCHEMBL4458888 | 0.70 | CHRNB2 (0.33) | ALDH1A1LMNACYP1A2RAB9AMTNR1A | |
| SCHEMBL3962527 | 0.67 | ATM (0.45) | ATMCES2CES1MTNR1AMTNR1B | |
| SCHEMBL3962524 | 0.67 | ATM (0.45) | ATMCES2CES1MTNR1AMTNR1B | |
| SCHEMBL94817 | 0.66 | ATM (0.43) | ATMALDH1A1CES2CES1LMNA | |
| SCHEMBL3680121 | 0.66 | ATM (0.43) | ATMALDH1A1CES2CES1LMNA | |
| SCHEMBL1226475 | 0.66 | MTNR1A (0.52) | ATMALDH1A1CES2CES1CYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101245084-B | Phosphine-substituted vinyl-containing metallocene catalyst, and preparation method and application thereof | PETROCHINA CO LTD | 2013-02-20 | — | — | CN | disclosed |
| US-7595413-B2 | Phosphine-substituted vinyl containing metallocene catalyst, preparation process and the application of the same | PETROCHINA COMPANY LIMITED (CN) | 2009-09-29 | — | — | US | disclosed |
| EP-1958969-A1 | A phosphine-substituted vinyl containing metallocene catalyst, preparation process and the application of the same | Petrochina Company Limited (CN) | 2008-08-20 | — | — | EP | disclosed |
| CN-101245084-A | Phosphine-substituted vinyl-containing metallocene catalyst, and preparation method and application thereof | PETROCHINA CO LTD (CN) | 2008-08-20 | — | — | CN | disclosed |
| US-20080194854-A1 | Phosphine-substituted vinyl containing metallocene catlyst, preparation process and the application of the same | PETROCHINA COMPANY LIMITED (CN) | 2008-08-14 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080194854-A1 | Phosphine-substituted vinyl containing metallocene catlyst, preparation process and the application of the same | PI4K2B, PI4K2A, CPNE4 | PGR 384/4885ADRA2A 1747/4885ADRA2B 1186/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.