Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 15/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | TOP2A | P11388 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 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 | |
|---|---|---|---|---|
| SCHEMBL1718701 | 0.93 | TACR3 (0.51) | TACR3CYP2C9RIPK1TOP2APDE2A | |
| SCHEMBL1717301 | 0.92 | TACR3 (0.50) | TACR3CYP2C9RIPK1 | |
| SCHEMBL4754550 | 0.91 | TACR3 (0.54) | TACR3CYP2C9RIPK1TOP2A | |
| SCHEMBL1942029 | 0.91 | TACR3 (0.46) | TACR3CYP2C9 | |
| SCHEMBL1942021 | 0.87 | CYP2C9 (0.55) | TACR3CYP2C9RIPK1TOP2A | |
| SCHEMBL1718129 | 0.87 | TACR3 (0.47) | TACR3CYP2C9 | |
| SCHEMBL8175965 | 0.86 | PIK3CD (0.42) | TACR3TOP2A | |
| SCHEMBL1717621 | 0.86 | TACR3 (0.46) | TACR3CYP2C9RIPK1TOP2A | |
| SCHEMBL1718774 | 0.85 | TACR3 (0.46) | TACR3CYP2C9RIPK1TOP2APDE2A | |
| SCHEMBL1718525 | 0.85 | TACR3 (0.46) | TACR3CYP2C9RIPK1PDE2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8173639-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-05-08 | — | — | US | disclosed |
| US-8173639-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-05-08 | — | — | US | disclosed |
| US-20090143402-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-06-04 | — | — | US | disclosed |
| US-20090143402-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-06-04 | — | — | 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-20090143402-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | KCNQ3, KCNK3, GRIK3 | TACR3 30/4885CYP2C9 2755/4885RIPK1 3087/4885 |
“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.