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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL635987 | 0.94 | CYP2A6 (0.37) | CYP1A2CYP2A6TSHRALDH1A1HPGD | |
| SCHEMBL636477 | 0.92 | CYP1A2 (0.33) | CYP1A2CYP2A6TSHRALDH1A1HPGD | |
| SCHEMBL636039 | 0.83 | NCEH1 (0.33) | ALDH1A1HPGDMAPT | |
| Perchlorate SCHEMBL637512 | 0.83 | HK1 (0.30) | — | |
| SCHEMBL635100 | 0.78 | ATM (0.35) | CYP1A2ALDH1A1HPGDMAPT | |
| SCHEMBL635352 | 0.78 | SIGMAR1 (0.32) | MAPT | |
| SCHEMBL29378690 | 0.78 | CYP2A6 (0.41) | CYP1A2CYP2A6TSHRALDH1A1HPGD | |
| SCHEMBL29122 | 0.78 | CYP2A6 (0.41) | CYP1A2CYP2A6TSHRALDH1A1HPGD | |
| SCHEMBL31462816 | 0.78 | CYP2A6 (0.41) | CYP1A2CYP2A6TSHRALDH1A1HPGD | |
| SCHEMBL28433701 | 0.76 | CYP2A6 (0.40) | CYP1A2CYP2A6TSHRALDH1A1HPGD |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8981147-B2 | Diphosphine ligand and transition metal complex using the same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-03-17 | — | — | US | disclosed |
| US-20140171655-A1 | DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-06-19 | — | — | US | disclosed |
| EP-1927596-B9 | DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME | TAKEDA PHARMACEUTICAL (JP) | 2013-05-15 | — | — | EP | disclosed |
| EP-1927596-B1 | DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME | TAKEDA PHARMACEUTICAL (JP) | 2012-08-01 | — | — | EP | disclosed |
| EP-2420507-A1 | Diphosphine ligand and transition metal complex using the same | Takeda Pharmaceutical Company Limited (JP) | 2012-02-22 | — | — | EP | disclosed |
| US-20090270635-A1 | Diphosphine Ligand and Transition Metal Complex Using the Same | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-10-29 | — | — | US | disclosed |
| EP-1927596-A1 | DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME | Takeda Pharmaceutical Company Limited (JP) | 2008-06-04 | — | — | EP | 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-20090270635-A1 | Diphosphine Ligand and Transition Metal Complex Using the Same | MVD, C5, C1S | CYP1A2 45/4885CYP2A6 74/4885TSHR 1507/4885 |
| US-20140171655-A1 | DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME | MVD, C5, C1S | CYP1A2 45/4885CYP2A6 74/4885TSHR 1507/4885 |
“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.