Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1823851 | 0.81 | CYP2A6 (0.44) | CYP2A6ALDH1A1RAB9AMEN1KMT2A | |
| SCHEMBL8300939 | 0.79 | CYP2A6 (0.43) | CYP2A6ALDH1A1RAB9AMEN1KMT2A | |
| SCHEMBL2333481 | 0.79 | CYP2A6 (0.43) | CYP2A6ALDH1A1RAB9AMEN1KMT2A | |
| SCHEMBL1826512 | 0.79 | CYP2A6 (0.43) | CYP2A6BACE1CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL2039997 | 0.75 | ALDH1A1 (0.44) | CYP2A6ALDH1A1MAPK1RAB9ABACE1 | |
| SCHEMBL31178606 | 0.75 | CYP2A6 (0.40) | CYP2A6ALDH1A1RAB9AMEN1KMT2A | |
| SCHEMBL10088620 | 0.75 | CYP2A6 (0.40) | CYP2A6ALDH1A1MAPK1APPPLK1 | |
| SCHEMBL2836245 | 0.74 | GSTP1 (0.42) | CYP2A6ALDH1A1MAPK1RAB9AMEN1 | |
| SCHEMBL11522531 | 0.74 | HSD17B1 (0.49) | ALDH1A1MAPK1RAB9AMEN1KMT2A | |
| SCHEMBL13049377 | 0.72 | ALDH1A1 (0.41) | CYP2A6ALDH1A1MAPK1BACE1CYP2B6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3162798-B1 | 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2021-04-14 | — | — | EP | disclosed |
| EP-3162798-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2017-05-03 | — | — | EP | disclosed |
| EP-2196459-B1 | 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2016-11-02 | — | — | EP | disclosed |
| US-8334301-B2 | 5-Membered heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-12-18 | — | — | US | disclosed |
| US-20100210696-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-19 | — | — | US | disclosed |
| EP-2196459-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2010-06-16 | — | — | 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 (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-20100210696-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | NPY4R, NPY5R, NPY1R | CYP2A6 164/4885ALDH1A1 2505/4885MAPK1 2435/4885 |
“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.