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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 2/20 | 0.50 |
| ▸ | TTBK1 | Q5TCY1 | 5/20 | 0.47 |
| ▸ | TTBK2 | Q6IQ55 | 5/20 | 0.47 |
| ▸ | JAK3 | P52333 | 5/20 | 0.47 |
| ▸ | PRKCI | P41743 | 2/20 | 0.47 |
| ▸ | AXL | P30530 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | HPGDS | O60760 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | RET | P07949 | 1/20 | 0.44 |
| ▸ | PI4KA | P42356 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.44 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.44 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.44 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.44 |
| ▸ | JAK1 | P23458 | 1/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL39050 | 0.96 | JAK2 (0.53) | JAK2TTBK1TTBK2JAK3PRKCI | |
| SCHEMBL29407654 | 0.96 | JAK2 (0.53) | JAK2TTBK1TTBK2JAK3PRKCI | |
| Hydrochloric Acid SCHEMBL28332112 | 0.94 | JAK2 (0.52) | JAK2TTBK1TTBK2JAK3PRKCI | |
| Hydrochloric Acid SCHEMBL7018150 | 0.94 | JAK2 (0.52) | JAK2TTBK1TTBK2JAK3PRKCI | |
| Hydrochloric Acid SCHEMBL29589304 | 0.94 | JAK2 (0.52) | JAK2TTBK1TTBK2JAK3PRKCI | |
| Hydrochloric Acid SCHEMBL29616630 | 0.94 | JAK2 (0.52) | JAK2TTBK1TTBK2JAK3PRKCI | |
| Hydrochloric Acid SCHEMBL17781755 | 0.90 | JAK2 (0.49) | JAK2TTBK1TTBK2JAK3TRPA1 | |
| Sulfuric Acid SCHEMBL14736382 | 0.85 | IKBKB (0.49) | JAK2TTBK1TTBK2JAK3TRPA1 | |
| Trifluoroacetic Acid SCHEMBL29971319 | 0.79 | NOTUM (0.48) | JAK2TTBK1TTBK2JAK3TRPA1 | |
| Trifluoroacetic Acid SCHEMBL28330499 | 0.79 | NOTUM (0.48) | JAK2TTBK1TTBK2JAK3TRPA1 |
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-3833350-A1 | PYRROLOPYRIMIDINE ITK INHIBITORS | Aclaris Therapeutics, Inc. (US) | 2021-06-16 | — | — | EP | disclosed |
| WO-2020033955-A1 | PYRROLOPYRIMIDINE ITK INHIBITORS | ACLARIS THERAPEUTICS, INC. (US) | 2020-02-13 | — | — | WO | disclosed |