Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | LIPE | Q05469 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 6/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16633285 | 0.89 | ALDH1A1 (0.36) | ALDH1A1BCHEACHELIPEEPHX2 | |
| SCHEMBL16633233 | 0.85 | EPHX1 (0.43) | ALDH1A1EPHX2PDE2ASLC6A2SLC6A4 | |
| SCHEMBL16633449 | 0.83 | ALDH1A1 (0.39) | ALDH1A1EPHX2PDE2AEPHX1SERPINE1 | |
| SCHEMBL16633661 | 0.81 | EPHX2 (0.40) | ALDH1A1EPHX2PDE2APPARGPPARD | |
| SCHEMBL16633428 | 0.79 | ALDH1A1 (0.38) | ALDH1A1BCHEACHELIPEEPHX2 | |
| SCHEMBL16563726 | 0.78 | TRPV1 (0.40) | ALDH1A1EPHX2PDE2ATRPV1EPHX1 | |
| SCHEMBL16633204 | 0.78 | MMP2 (0.40) | ALDH1A1BCHEACHELIPEPDE2A | |
| SCHEMBL16633980 | 0.77 | ALDH1A1 (0.41) | ALDH1A1EPHX2PDE2ATRPV1EPHX1 | |
| SCHEMBL16633417 | 0.76 | ALDH1A1 (0.38) | ALDH1A1EPHX2PDE2ATRPV1EPHX1 | |
| SCHEMBL16634078 | 0.76 | EPHX1 (0.40) | ALDH1A1EPHX2PDE2ASLC6A2SLC6A4 |
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 492/4885BCHE 198/4885ACHE 24/4885 |
“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.