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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 19/20 | 0.57 |
| ▸ | CA2 | P00918 | 19/20 | 0.57 |
| ▸ | CA9 | Q16790 | 5/20 | 0.55 |
| ▸ | CA12 | O43570 | 3/20 | 0.55 |
| ▸ | CA6 | P23280 | 1/20 | 0.55 |
| ▸ | CA5A | P35218 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL3979522 | 0.96 | CA1 (0.60) | CA1CA2CA9CA12CA6 | |
| SCHEMBL6118940 | 0.82 | CA1 (0.69) | CA1CA2CA9CA12CA6 | |
| SCHEMBL4463532 | 0.75 | CA1 (0.70) | CA1CA2CA9CA12CA6 | |
| SCHEMBL31309573 | 0.75 | CA1 (0.70) | CA1CA2CA9CA12CA6 | |
| SCHEMBL16058114 | 0.75 | CA2 (0.69) | CA1CA2CA9CA12CA6 | |
| SCHEMBL2002382 | 0.74 | GAA (0.50) | — | |
| SCHEMBL3694286 | 0.74 | CA2 (0.67) | CA1CA2CA9CA12CA6 | |
| SCHEMBL5176819 | 0.73 | CA1 (0.57) | CA1CA2CA9CA12CA6 | |
| SCHEMBL11760578 | 0.73 | GAA (0.61) | — | |
| SCHEMBL7633149 | 0.72 | CA2 (0.65) | CA1CA2CA9CA12CA6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8288400-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-16 | — | — | US | disclosed |
| US-20120183577-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-19 | — | — | US | disclosed |
| US-8017619-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-13 | — | — | US | disclosed |
| US-20100280026-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-04 | — | — | US | disclosed |
| US-7700609-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-20 | — | — | US | disclosed |
| EP-1692140-B1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-12-09 | — | — | EP | disclosed |
| EP-1692140-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | Vertex Pharmaceuticals Incorporated (US) | 2006-08-23 | — | — | EP | disclosed |
| US-20050148603-A1 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2005-07-07 | — | — | US | disclosed |
| WO-2005037843-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-04-28 | — | — | 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 (3 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-20100280026-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | MAP3K20, MAP3K1, MAP3K6 | CA1 4066/4885CA2 2721/4885CA9 3918/4885 |
| US-20050148603-A1 | Compositions useful as inhibitors of protein kinases | MAP3K20, MAP3K1, MAP3K6 | CA1 4066/4885CA2 2721/4885CA9 3918/4885 |
| US-20120183577-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | MAP3K20, MAP3K1, MAP3K6 | CA1 4066/4885CA2 2721/4885CA9 3918/4885 |
“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.