Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | LIPE | Q05469 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 4/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16633394 | 0.89 | ALDH1A1 (0.38) | ALDH1A1EPHX1BCHEACHELIPE | |
| SCHEMBL17075965 | 0.83 | ATM (0.40) | ALDH1A1FAAH | |
| SCHEMBL17075966 | 0.83 | ATM (0.40) | ALDH1A1FAAH | |
| SCHEMBL18222289 | 0.82 | PKM (0.41) | PPARAFAAH | |
| SCHEMBL16633233 | 0.82 | EPHX1 (0.43) | ALDH1A1EPHX1PDE2APPARGPPARD | |
| SCHEMBL18222299 | 0.82 | PKM (0.41) | PPARAFAAH | |
| SCHEMBL16633449 | 0.80 | ALDH1A1 (0.39) | ALDH1A1EPHX1PDE2APPARGPPARD | |
| SCHEMBL16633661 | 0.78 | EPHX2 (0.40) | ALDH1A1PDE2APPARGPPARDPPARA | |
| SCHEMBL16563726 | 0.76 | TRPV1 (0.40) | ALDH1A1EPHX1PDE2AEPHX2TRPV1 | |
| SCHEMBL16563370 | 0.75 | ALDH1A1 (0.40) | ALDH1A1PDE2AEPHX2HPGD |
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 492/4885EPHX1 1515/4885BCHE 198/4885 |
“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.