Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.66 |
| ▸ | TACR3 | P29371 | 13/20 | 0.66 |
| ▸ | TACR2 | P21452 | 11/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CETP | P11597 | 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 | |
|---|---|---|---|---|
| SCHEMBL1971081 | 1.00 | TACR1 (0.66) | TACR1TACR3TACR2CYP3A4CETP | |
| SCHEMBL15397562 | 0.94 | TACR1 (0.68) | TACR1TACR3TACR2CYP3A4 | |
| SCHEMBL15397563 | 0.94 | TACR1 (0.68) | TACR1TACR3TACR2CYP3A4 | |
| SCHEMBL30693137 | 0.91 | TACR1 (0.70) | TACR1TACR3TACR2 | |
| SCHEMBL1973387 | 0.90 | TACR1 (0.67) | TACR1TACR3TACR2CETP | |
| SCHEMBL1969450 | 0.89 | TACR1 (0.80) | TACR1TACR3TACR2CYP3A4 | |
| SCHEMBL1969448 | 0.89 | TACR1 (0.80) | TACR1TACR3TACR2CYP3A4 | |
| SCHEMBL1970253 | 0.88 | TACR1 (0.81) | TACR1TACR3TACR2 | |
| SCHEMBL1970251 | 0.88 | TACR1 (0.81) | TACR1TACR3TACR2 | |
| SCHEMBL15397586 | 0.87 | TACR1 (0.76) | TACR1TACR3TACR2CYP3A4 |
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-20110178060-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-07-21 | — | — | US | disclosed |
| EP-2336105-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | Takeda Pharmaceutical Company Limited (JP) | 2011-06-22 | — | — | 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-20110178060-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | NTSR2, BDKRB1, AVPR1B | TACR1 13/4885TACR3 82/4885TACR2 29/4885 |
“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.