Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13353 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL3128042 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL2443918 | 0.82 | — | — | |
| SCHEMBL11693494 | 0.77 | CYP2A6 (0.50) | CYP2A6ALOX12PARP1FKBP5CA9 | |
| Naphthalene SCHEMBL15929321 | 0.76 | CYP2A6 (0.57) | CYP2A6ALOX12PARP1FKBP5CA9 | |
| SCHEMBL29538674 | 0.76 | CYP2A6 (0.57) | CYP2A6ALOX12CA12CA9CA1 | |
| SCHEMBL11222353 | 0.76 | CYP2A6 (0.57) | CYP2A6ALOX12PARP1CA9CA1 | |
| SCHEMBL6302567 | 0.76 | CYP2A6 (0.57) | CYP2A6ALOX12CA12CA9CA1 | |
| Naphthalene SCHEMBL28798040 | 0.73 | CYP2A6 (0.53) | CYP2A6ALOX12PARP1FKBP5CA9 | |
| SCHEMBL4452628 | 0.69 | CYP2A6 (0.47) | CYP2A6ALOX12GRIN2DGRIN3BGRIN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2483239-A2 | THIOL-CONTAINING COMPOUNDS FOR THE REMOVAL OF ELEMENTS FROM CONTAMINATED MILIEU AND METHODS OF USE | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2012-08-08 | — | — | EP | claimed |
| WO-2011038385-A9 | THIOL-CONTAINING COMPOUNDS FOR THE REMOVAL OF ELEMENTS FROM CONTAMINATED MILIEU AND METHODS OF USE | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2011-11-24 | — | — | WO | claimed |
| WO-2011038385-A2 | THIOL-CONTAINING COMPOUNDS FOR THE REMOVAL OF ELEMENTS FROM CONTAMINATED MILIEU AND METHODS OF USE | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2011-03-31 | — | — | WO | claimed |
| US-20110076246-A1 | THIOL-CONTAINING COMPOUNDS FOR THE REMOVAL OF ELEMENTS FROM CONTAMINATED MILIEU AND METHODS OF USE | HALEY BOYD E | 2011-03-31 | — | — | US | claimed |
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-20110076246-A1 | THIOL-CONTAINING COMPOUNDS FOR THE REMOVAL OF ELEMENTS FROM CONTAMINATED MILIEU AND METHODS OF USE | TST, MPST, ARSA | CYP2A6 1103/4885ALOX12 2936/4885PARP1 4725/4885 |
“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.