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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.43 |
| ▸ | CES2 | O00748 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 8/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL330284 | 0.94 | — | — | |
| SCHEMBL755487 | 0.78 | KMT2A (0.39) | CES1CES2TSHRALDH1A1FAAH | |
| SCHEMBL269669 | 0.78 | CES1 (0.52) | CES1CES2ALDH1A1FAAHMEN1 | |
| Cyclohexene SCHEMBL29143187 | 0.77 | CES2 (0.33) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL27946917 | 0.76 | CES1 (0.50) | CES1CES2ALDH1A1FAAHMEN1 | |
| SCHEMBL3631010 | 0.76 | FAAH (0.62) | CES1CES2TSHRALDH1A1FAAH | |
| SCHEMBL28687646 | 0.74 | — | — | |
| SCHEMBL23052919 | 0.74 | FAAH (0.64) | CES1CES2TSHRALDH1A1FAAH | |
| SCHEMBL8824699 | 0.74 | FAAH (0.64) | CES1CES2TSHRALDH1A1FAAH | |
| SCHEMBL3411867 | 0.74 | FAAH (0.64) | CES1CES2TSHRALDH1A1FAAH |
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 |
|---|---|---|---|---|---|---|---|
| US-9517992-B2 | Organic compounds | GIVAUDAN S.A. (CH) | 2016-12-13 | — | — | US | disclosed |
| US-20150111811-A1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2015-04-23 | — | — | 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-20150111811-A1 | ORGANIC COMPOUNDS | FASN, CYP2E1, CYP2C8 | CES1 551/4885CES2 333/4885HDAC3 1761/4885 |
“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.