Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 6/20 | 0.42 |
| ▸ | GLA | P06280 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL302807 | 0.78 | ALDH1A1 (0.53) | ALDH1A1HSD17B10HIF1ACYP1B1HPGD | |
| SCHEMBL4848746 | 0.77 | ALDH1A1 (0.72) | ALDH1A1KDM4EGAAHSD17B10HIF1A | |
| SCHEMBL23664 | 0.77 | ALDH1A1 (0.72) | ALDH1A1KDM4EGAAHSD17B10HIF1A | |
| SCHEMBL4853659 | 0.77 | ALDH1A1 (0.72) | ALDH1A1KDM4EGAAHSD17B10HIF1A | |
| SCHEMBL29532882 | 0.77 | ALDH1A1 (0.72) | ALDH1A1KDM4EGAAHSD17B10HIF1A | |
| Anthracene SCHEMBL28787108 | 0.76 | ALDH1A1 (0.53) | ALDH1A1KDM4EGAAHSD17B10HIF1A | |
| Anthracene SCHEMBL29806430 | 0.76 | CYP2A6 (0.58) | ALDH1A1KDM4EHSD17B10HIF1AKMT2A | |
| SCHEMBL29354014 | 0.76 | ALDH1A1 (0.50) | ALDH1A1KDM4EGAAHSD17B10HIF1A | |
| SCHEMBL2871930 | 0.76 | ALDH1A1 (0.50) | ALDH1A1KDM4EGAAHSD17B10HIF1A | |
| SCHEMBL190685 | 0.75 | ALDH1A1 (0.68) | ALDH1A1KDM4EGAAHSD17B10HIF1A |
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 | ALDH1A1 1829/4885KDM4E 3213/4885GAA 1409/4885 |
| US-20080234488-A1 | Method of Deuteration Using Mixed Catalyst | HDHD5, DHX35, HRH3 | ALDH1A1 3168/4885KDM4E 2519/4885GAA 3212/4885 |
| US-20070255076-A1 | Method for Deuteration of an Aromatic Ring | HRH3, HRH4, AHR | ALDH1A1 2654/4885KDM4E 1612/4885GAA 2878/4885 |
“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.