Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL2109556 | 1.00 | CA1 (0.39) | CA1CA2ALDH1A1EPHX1ACHE | |
| SCHEMBL93215 | 1.00 | CA1 (0.39) | CA1CA2ALDH1A1EPHX1ACHE | |
| SCHEMBL2109539 | 1.00 | CA1 (0.39) | CA1CA2ALDH1A1EPHX1ACHE | |
| SCHEMBL9431 | 1.00 | — | — | |
| SCHEMBL93249 | 1.00 | CA1 (0.39) | CA1CA2ALDH1A1EPHX1ACHE | |
| SCHEMBL2110868 | 1.00 | CA1 (0.39) | CA1CA2ALDH1A1EPHX1ACHE | |
| SCHEMBL93454 | 1.00 | CA1 (0.39) | CA1CA2ALDH1A1EPHX1ACHE | |
| SCHEMBL2108202 | 1.00 | CA1 (0.39) | CA1CA2ALDH1A1EPHX1ACHE | |
| SCHEMBL2109113 | 1.00 | CA1 (0.39) | CA1CA2ALDH1A1EPHX1ACHE | |
| SCHEMBL93204 | 1.00 | CA1 (0.39) | CA1CA2ALDH1A1EPHX1ACHE |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9255070-B2 | Method of deuteration using mixed catalyst | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2016-02-09 | — | — | US | disclosed |
| US-8093422-B2 | Method for deuteration of an aromatic ring | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2012-01-10 | — | — | US | disclosed |
| US-7517990-B2 | Method for deuteration of a heterocyclic ring | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2009-04-14 | — | — | US | disclosed |
| US-20080234488-A1 | Method of Deuteration Using Mixed Catalyst | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2008-09-25 | — | — | US | disclosed |
| US-20070255076-A1 | Method for Deuteration of an Aromatic Ring | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2007-11-01 | — | — | US | disclosed |
| EP-1707548-A1 | METHOD OF DEUTERATION USING MIXED CATALYST | Wako Pure Chemical Industries, Ltd. (JP) | 2006-10-04 | — | — | EP | disclosed |
| US-20060025596-A1 | Method for deuteration or tritiation of heterocyclic ring | FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) | 2006-02-02 | — | — | US | disclosed |
| EP-1561741-A1 | METHOD FOR DEUTERATION OR TRITIATION OF HETEROCYCLIC RING | Wako Pure Chemical Industries, Ltd. (JP) | 2005-08-10 | — | — | EP | disclosed |
| EP-1535889-A1 | METHOD OF DEUTERATING AROMATIC RING | Wako Pure Chemical Industries, Ltd. (JP) | 2005-06-01 | — | — | 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 (3 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-20060025596-A1 | Method for deuteration or tritiation of heterocyclic ring | HRH2, HRH4, HDHD5 | CA1 112/4885CA2 1154/4885ALDH1A1 1829/4885 |
| US-20080234488-A1 | Method of Deuteration Using Mixed Catalyst | HDHD5, DHX35, HRH3 | CA1 486/4885CA2 1953/4885ALDH1A1 3168/4885 |
| US-20070255076-A1 | Method for Deuteration of an Aromatic Ring | HRH3, HRH4, AHR | CA1 1012/4885CA2 2529/4885ALDH1A1 2654/4885 |
“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.