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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1RN | P18510 | 4/20 | 0.50 |
| ▸ | ERAP2 | Q6P179 | 4/20 | 0.50 |
| ▸ | ERAP1 | Q9NZ08 | 3/20 | 0.50 |
| ▸ | TAS1R3 | Q7RTX0 | 6/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 6/20 | 0.44 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.44 |
| ▸ | NPY4R | P50391 | 2/20 | 0.43 |
| ▸ | NPY1R | P25929 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
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 SCHEMBL930415 | 0.97 | IL1RN (0.51) | IL1RNERAP2ERAP1TAS1R3TAS1R1 | |
| Hydrochloric Acid SCHEMBL930416 | 0.97 | IL1RN (0.51) | IL1RNERAP2ERAP1TAS1R3TAS1R1 | |
| SCHEMBL29501772 | 0.87 | IL1RN (0.51) | IL1RNERAP2ERAP1TAS1R3TAS1R1 | |
| SCHEMBL15869935 | 0.86 | IL1RN (0.52) | IL1RNERAP2ERAP1TAS1R3TAS1R1 | |
| SCHEMBL8208041 | 0.82 | IL1RN (0.45) | IL1RNERAP2ERAP1TAS1R3TAS1R1 | |
| SCHEMBL29501806 | 0.81 | IL1RN (0.50) | IL1RNERAP2ERAP1NPY4RNPY1R | |
| SCHEMBL12907549 | 0.81 | IL1RN (0.46) | IL1RNERAP2ERAP1TAS1R3TAS1R1 | |
| SCHEMBL15869934 | 0.81 | TAS1R3 (0.44) | IL1RNERAP2ERAP1TAS1R3TAS1R1 | |
| SCHEMBL8886017 | 0.81 | LTA4H (0.47) | — | |
| SCHEMBL8886558 | 0.81 | LTA4H (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9434762-B2 | Macrocyclic cysteine protease inhibitors and compositions thereof | UNIVERSITY OF CANTERBURY (NZ) | 2016-09-06 | — | — | US | disclosed |
| US-20140194362-A1 | Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof | LINCOLN UNIVERSITY (NZ) | 2014-07-10 | — | — | US | disclosed |
| US-8710178-B2 | Macrocyclic cysteine protease inhibitors and compositions thereof | LINCOLN UNIVERSITY (NZ) | 2014-04-29 | — | — | US | disclosed |
| US-20110021434-A1 | Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof | UNIVERSITY OF CANTERBURY (NZ) | 2011-01-27 | — | — | US | disclosed |
| WO-2008048121-A2 | MACROCYCLIC CYSTEINE PROTEASE INHIBITORS AND COMPOSITIONS THEREOF | LINCOLN UNIVERSITY (NZ) | 2008-04-24 | — | — | WO | 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 (2 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-20140194362-A1 | Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof | CAPNS1, CAPN1, CAPN9 | IL1RN 1424/4885ERAP2 67/4885ERAP1 42/4885 |
| US-20110021434-A1 | Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof | CAPNS1, CAPN1, CAPN9 | IL1RN 1424/4885ERAP2 67/4885ERAP1 42/4885 |
“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.