Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 16/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4153046 | 1.00 | TACR1 (0.46) | TACR1CYP3A4CYP2D6OPRL1CYP2C9 | |
| SCHEMBL15397540 | 0.88 | DPP4 (0.46) | TACR1CYP3A4CYP2D6OPRL1CYP2C9 | |
| SCHEMBL1969990 | 0.84 | TACR1 (0.47) | TACR1CYP3A4CYP2D6CYP2C9DPP4 | |
| SCHEMBL5226257 | 0.84 | TACR1 (0.47) | TACR1CYP3A4CYP2D6CYP2C9DPP4 | |
| SCHEMBL5159214 | 0.84 | TACR1 (0.47) | TACR1CYP3A4CYP2D6CYP2C9DPP4 | |
| SCHEMBL3701009 | 0.82 | TACR1 (0.44) | TACR1CYP3A4CYP2D6OPRL1CYP2C9 | |
| SCHEMBL1969992 | 0.80 | TACR1 (0.44) | TACR1CYP3A4CYP2D6OPRL1CYP2C9 | |
| SCHEMBL5010526 | 0.79 | TACR1 (0.47) | TACR1CYP3A4CYP2D6OPRL1CYP2C9 | |
| SCHEMBL5010525 | 0.79 | TACR1 (0.47) | TACR1CYP3A4CYP2D6OPRL1CYP2C9 | |
| SCHEMBL19892791 | 0.79 | KDM1A (0.46) | — |
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-8470816-B2 | Nitrogen-containing heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-25 | — | — | US | disclosed |
| US-20090156572-A1 | Nitrogen-containing heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-06-18 | — | — | 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-20090156572-A1 | Nitrogen-containing heterocyclic compound and use thereof | NTSR2, NTSR1, HNMT | TACR1 9/4885CYP3A4 2452/4885CYP2D6 1124/4885 |
“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.