Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | SPPL2B | Q8TCT7 | 1/20 | 0.36 |
| ▸ | SPPL2A | Q8TCT8 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 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 | |
|---|---|---|---|---|
| SCHEMBL16563726 | 0.87 | TRPV1 (0.40) | ALDH1A1EPHX2NR1H4PDE2ATRPV1 | |
| SCHEMBL16633449 | 0.79 | ALDH1A1 (0.39) | ALDH1A1HDAC3HDAC1HDAC2EPHX2 | |
| SCHEMBL16633980 | 0.78 | ALDH1A1 (0.41) | ALDH1A1EPHX2PPARANR1H4PDE2A | |
| SCHEMBL16634078 | 0.77 | EPHX1 (0.40) | ALDH1A1EPHX2NR1H4PDE2APOLB | |
| SCHEMBL16633204 | 0.76 | MMP2 (0.40) | ALDH1A1PDE2APOLBPSEN1PSEN2 | |
| SCHEMBL16633233 | 0.75 | EPHX1 (0.43) | ALDH1A1EPHX2PPARGPPARAPDE2A | |
| SCHEMBL16632995 | 0.75 | EPHX1 (0.41) | ALDH1A1EPHX2PPARGPPARANR1H4 | |
| SCHEMBL16633394 | 0.74 | ALDH1A1 (0.38) | ALDH1A1EPHX2PPARGPPARAPDE2A | |
| SCHEMBL16633417 | 0.74 | ALDH1A1 (0.38) | ALDH1A1EPHX2PPARGPPARAPDE2A | |
| SCHEMBL16633428 | 0.74 | ALDH1A1 (0.38) | ALDH1A1EPHX2PPARGPPARANR1H4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
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-20150105373-A1 | NITROGENATED HETEROCYCLIC COMPOUND | PDE2A, PDE5A, PDE3A | ALDH1A1 492/4885HDAC3 1409/4885HDAC1 141/4885 |
“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.