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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.69 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | APEX1 | P27695 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | TUBB4A | P04350 | 5/20 | 0.56 |
| ▸ | TUBB | P07437 | 5/20 | 0.56 |
| ▸ | TUBA3C | P0DPH7 | 5/20 | 0.56 |
| ▸ | TUBA1B | P68363 | 5/20 | 0.56 |
| ▸ | TUBA4A | P68366 | 5/20 | 0.56 |
| ▸ | TUBB4B | P68371 | 5/20 | 0.56 |
| ▸ | TUBB3 | Q13509 | 5/20 | 0.56 |
| ▸ | TUBB2A | Q13885 | 5/20 | 0.56 |
| ▸ | TUBB8 | Q3ZCM7 | 5/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL346416 | 0.96 | TSHR (0.73) | TSHRCYP1A2CYP3A4NFKB1LMNA | |
| Bromide SCHEMBL3713176 | 0.94 | TSHR (0.71) | TSHRCYP1A2CYP3A4NFKB1LMNA | |
| Hydrochloric Acid SCHEMBL29679697 | 0.94 | LMNA (0.74) | TSHRCYP1A2CYP3A4NFKB1LMNA | |
| Hydrochloric Acid SCHEMBL1143719 | 0.94 | LMNA (0.74) | TSHRCYP1A2CYP3A4NFKB1LMNA | |
| SCHEMBL347613 | 0.81 | TSHR (1.00) | TSHRCYP1A2CYP3A4NFKB1LMNA | |
| SCHEMBL29351790 | 0.81 | TSHR (1.00) | TSHRCYP1A2CYP3A4NFKB1LMNA | |
| SCHEMBL140416 | 0.81 | TSHR (0.76) | TSHRCYP1A2CYP3A4NFKB1LMNA | |
| SCHEMBL31077499 | 0.81 | TSHR (0.76) | TSHRCYP1A2CYP3A4NFKB1LMNA | |
| SCHEMBL27127537 | 0.81 | TSHR (0.76) | TSHRCYP1A2CYP3A4NFKB1LMNA | |
| SCHEMBL69858 | 0.80 | TUBB4A (0.79) | TSHRCYP1A2CYP3A4NFKB1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7713994-B2 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof | WYETH LLC (US) | 2010-05-11 | — | — | US | disclosed |
| EP-1963273-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS | Wyeth a Corporation of the State of Delaware (US) | 2008-09-03 | — | — | EP | disclosed |
| US-20080085890-A1 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof | WYETH (US) | 2008-04-10 | — | — | US | disclosed |
| WO-2007075783-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR | WYETH (US) | 2007-07-05 | — | — | 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 (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-20080085890-A1 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof | SULT1E1, RECQL, HAX1 | TSHR 2138/4885CYP1A2 147/4885CYP3A4 375/4885 |
“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.