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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 4/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | KCNN4 | O15554 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL491999 | 0.95 | CYP3A4 (0.41) | TDP1CYP3A4ESR1ESR2TP53 | |
| Bromide SCHEMBL493074 | 0.95 | CYP3A4 (0.41) | TDP1CYP3A4ESR1ESR2TP53 | |
| SCHEMBL13391635 | 0.95 | CYP3A4 (0.45) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL9441831 | 0.95 | CYP3A4 (0.45) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL9492996 | 0.84 | CYP3A4 (0.41) | TDP1CYP3A4ESR1ESR2TP53 | |
| SCHEMBL7558647 | 0.82 | CYP3A4 (0.39) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL2916053 | 0.82 | CYP3A4 (0.39) | TDP1CYP3A4ESR1ESR2TP53 | |
| SCHEMBL4750482 | 0.78 | LTA4H (0.36) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL10785234 | 0.78 | CYP3A4 (0.45) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL23261996 | 0.77 | ALDH1A1 (0.36) | TDP1CYP3A4ESR1ESR2ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1876182-B1 | PHOSPHINE TRANSITION METAL COMPLEX, PROCESS FOR PRODUCING THE SAME AND ANTICANCER DRUG CONTAINING THE SAME | NIPPON CHEMICAL IND (JP) | 2012-12-19 | — | — | EP | claimed |
| US-8106186-B2 | Transition metal phosphine complex, method for producing same, and anticancer agent containing transition metal phospine complex | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2012-01-31 | — | — | US | claimed |
| US-20090076267-A1 | TRANSITION METAL PHOSPHINE COMPLEX, METHOD FOR PRODUCING SAME, AND ANTICANCER AGENT CONTAINING TRANSITION METAL PHOSPINE COMPLEX | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2009-03-19 | — | — | US | claimed |
| US-8106186-B2 | Transition metal phosphine complex, method for producing same, and anticancer agent containing transition metal phospine complex | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2012-01-31 | — | — | US | disclosed |
| US-20090076267-A1 | TRANSITION METAL PHOSPHINE COMPLEX, METHOD FOR PRODUCING SAME, AND ANTICANCER AGENT CONTAINING TRANSITION METAL PHOSPINE COMPLEX | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2009-03-19 | — | — | US | disclosed |
| EP-1876182-A1 | PHOSPHINE TRANSITION METAL COMPLEX, PROCESS FOR PRODUCING THE SAME AND ANTICANCER DRUG CONTAINING THE SAME | Nippon Chemical Industrial Co., Ltd. (JP) | 2008-01-09 | — | — | 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 (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-20090076267-A1 | TRANSITION METAL PHOSPHINE COMPLEX, METHOD FOR PRODUCING SAME, AND ANTICANCER AGENT CONTAINING TRANSITION METAL PHOSPINE COMPLEX | CDKL1, MASTL, AARS1 | ACHE 2428/4885TDP1 4108/4885CYP3A4 2972/4885 |
“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.