Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL302710 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9GPR84SIGMAR1 | |
| SCHEMBL302715 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9GPR84SIGMAR1 | |
| SCHEMBL303785 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9GPR84SIGMAR1 | |
| SCHEMBL302935 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9GPR84SIGMAR1 | |
| SCHEMBL304716 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9GPR84SIGMAR1 | |
| SCHEMBL303705 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9GPR84SIGMAR1 | |
| SCHEMBL302931 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9GPR84SIGMAR1 | |
| SCHEMBL304711 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9GPR84SIGMAR1 | |
| SCHEMBL303608 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9GPR84SIGMAR1 | |
| SCHEMBL129443 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9GPR84SIGMAR1 |
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 11 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-20060116535-A1 | Method of deuteration | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2006-06-01 | — | — | US | disclosed |
| US-20060025596-A1 | Method for deuteration or tritiation of heterocyclic ring | FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) | 2006-02-02 | — | — | US | disclosed |
| EP-1577280-A1 | METHOD OF DEUTERIZATION | Wako Pure Chemical Industries, Ltd. (JP) | 2005-09-21 | — | — | EP | 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 (4 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 | CYP1A2 624/4885CYP2C19 865/4885CYP2C9 621/4885 |
| US-20080234488-A1 | Method of Deuteration Using Mixed Catalyst | HDHD5, DHX35, HRH3 | CYP1A2 798/4885CYP2C19 1260/4885CYP2C9 1529/4885 |
| US-20070255076-A1 | Method for Deuteration of an Aromatic Ring | HRH3, HRH4, AHR | CYP1A2 342/4885CYP2C19 1138/4885CYP2C9 1082/4885 |
| US-20060116535-A1 | Method of deuteration | ARL1, IDH2, IDH3A | CYP1A2 334/4885CYP2C19 1801/4885CYP2C9 1771/4885 |
“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.