Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | TOP2A | P11388 | 1/20 | 0.40 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | CETP | P11597 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11444814 | 0.84 | PDE2A (0.47) | PDE2AALDH1A1MAPTEPHX2TOP2A | |
| SCHEMBL23149869 | 0.84 | PDE2A (0.44) | PDE2AALDH1A1MAPTEPHX2TOP2A | |
| SCHEMBL646362 | 0.83 | TOP2A (0.49) | PDE2AALDH1A1MAPTEPHX2TOP2A | |
| SCHEMBL16771224 | 0.83 | PDE2A (0.49) | PDE2AALDH1A1MAPTEPHX2TOP2A | |
| SCHEMBL14593355 | 0.82 | ESR1 (0.48) | ALDH1A1KDM4ECYP4F2CYP4A11AOC3 | |
| SCHEMBL1046494 | 0.79 | PDE2A (0.54) | PDE2AALDH1A1MAPTEPHX2TOP2A | |
| SCHEMBL1759620 | 0.79 | PDE2A (0.46) | PDE2AALDH1A1MAPTEPHX2TOP2A | |
| SCHEMBL2426161 | 0.79 | GABBR2 (0.50) | ALDH1A1MAPTL3MBTL1KMT2AAOC3 | |
| SCHEMBL18291828 | 0.79 | PDE2A (0.54) | PDE2AALDH1A1MAPTEPHX2TOP2A | |
| SCHEMBL22326116 | 0.78 | ESR1 (0.54) | PDE2AALDH1A1MAPTEPHX2TOP2A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10017508-B2 | Nitrogenated heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-07-10 | — | — | US | disclosed |
| EP-2848618-B1 | NITROGENATED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2018-03-14 | — | — | EP | disclosed |
| US-20170129887-A1 | NITROGENATED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2017-05-11 | — | — | US | disclosed |
| CN-104245698-B | Nitrogen-containing heterocyclic compound | TAKEDA PHARMACEUTICAL CO.,LTD. (JP) | 2016-11-30 | — | — | CN | disclosed |
| US-9469637-B2 | Nitrogenated heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-10-18 | — | — | US | disclosed |
| US-20150105373-A1 | NITROGENATED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-04-16 | — | — | US | disclosed |
| EP-2848618-A1 | NITROGENATED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-03-18 | — | — | EP | disclosed |
| CN-104245698-A | Nitrogen-containing heterocyclic compound | TAKEDA PHARMACEUTICAL | 2014-12-24 | — | — | CN | disclosed |
| EP-0623103-B1 | PROCESS FOR PRODUCING TRIFLUOROMETHYL KETONES | HOECHST SCHERING AGREVO GMBH (DE) | 1997-09-03 | — | — | EP | disclosed |
| US-5608062-A | Process for preparing trifluoromethyl ketones | HOECHST SCHERING AGREVO GMBH (DE) | 1997-03-04 | — | — | US | disclosed |
| WO-1997000249-A1 | HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-01-03 | — | — | WO | disclosed |
| EP-0623103-A1 | PROCESS FOR PRODUCING TRIFLUOROMETHYL KETONES. | HOECHST SCHERING AGREVO GMBH (DE) | 1994-11-09 | — | — | EP | disclosed |
| WO-1993014054-A1 | PROCESS FOR PRODUCING TRIFLUOROMETHYL KETONES | HOECHST SCHERING AGREVO GMBH (DE) | 1993-07-22 | — | — | WO | 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-20150105373-A1 | NITROGENATED HETEROCYCLIC COMPOUND | PDE2A, PDE5A, PDE3A | PDE2A 1/4885ALDH1A1 492/4885MAPT 487/4885 |
| US-20170129887-A1 | NITROGENATED HETEROCYCLIC COMPOUND | PDE2A, PDE5A, PDE3A | PDE2A 1/4885ALDH1A1 492/4885MAPT 487/4885 |
| US-10017508-B2 | Nitrogenated heterocyclic compound | PDE2A, PDE5A, PDE3A | PDE2A 1/4885ALDH1A1 492/4885MAPT 487/4885 |
“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.