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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.56 |
| ▸ | SMYD3 | Q9H7B4 | 14/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | AHR | P35869 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HTR7 | P34969 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1304506 | 0.97 | EPHX2 (0.59) | EPHX2SMYD3ALDH1A1MAPTAHR | |
| Hydrochloric Acid SCHEMBL7036109 | 0.94 | EPHX2 (0.56) | EPHX2SMYD3ALDH1A1MAPTAHR | |
| SCHEMBL6225349 | 0.87 | EPHX2 (0.57) | EPHX2SMYD3ALDH1A1MAPTAHR | |
| SCHEMBL5479280 | 0.85 | ALDH1A1 (0.59) | EPHX2SMYD3ALDH1A1MAPTAHR | |
| SCHEMBL7096246 | 0.84 | HTR1A (0.58) | EPHX2SMYD3AHRHTR1ADRD2 | |
| SCHEMBL1145012 | 0.84 | ALDH1A1 (0.55) | EPHX2SMYD3ALDH1A1MAPTHTR1A | |
| SCHEMBL4304359 | 0.82 | EPHX2 (0.62) | EPHX2SMYD3AHRHTR1ADRD2 | |
| SCHEMBL2306726 | 0.82 | EPHX2 (0.59) | EPHX2SMYD3AHRHTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL8141533 | 0.82 | EPHX2 (0.56) | EPHX2SMYD3HTR1ADRD2HTR2A | |
| SCHEMBL5467106 | 0.81 | MAPT (0.52) | EPHX2SMYD3ALDH1A1MAPTHTR1A |
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-20030191128-A1 | 2-indolinone derivatives as modulators of protein kinase activity | SUGEN, INC. | 2003-10-09 | — | — | US | disclosed |
| US-6569868-B2 | Imidazoly 2-indolinones as anticarcinogenic, -diabetic, -arthritic, -proliferative and inflammatory agents; fibrosis; autoimmune disorder, angiogenesis, restenosis, psoriasis, osteoarthritis and rheumatoid arthritis | SUGEN, INC. | 2003-05-27 | — | — | US | disclosed |
| US-20020028840-A1 | 2-indolinone derivatives as modulators of protein kinase activity | TANG PENG CHO (US) | 2002-03-07 | — | — | US | disclosed |
| US-6316635-B1 | USED IN PROPHYLAXIS AND THERAPY OF PROTEIN KINASE RELATED CELLULAR DISORDERS SUCH AS CANCER, DIABETES, AUTOIMMUNE DISORDER, HYPERPROLIFERATION DISORDER, INFLAMMATORY DISORDER, ANGIOGENESIS, RESTENOSIS, FIBROSIS, PSORIASIS, OSTEOARTHRITIS | SUGEN, INC. | 2001-11-13 | — | — | 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 (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-20020028840-A1 | 2-indolinone derivatives as modulators of protein kinase activity | DMPK, IP6K2, MAP4K2 | EPHX2 3944/4885SMYD3 3823/4885ALDH1A1 1871/4885 |
| US-20030191128-A1 | 2-indolinone derivatives as modulators of protein kinase activity | DMPK, IP6K2, MAP4K2 | EPHX2 3944/4885SMYD3 3823/4885ALDH1A1 1871/4885 |
“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.