Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | TACR3 | P29371 | 10/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | ALPI | P09923 | 1/20 | 0.34 |
| ▸ | ALPG | P10696 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | WDR5 | P61964 | 2/20 | 0.33 |
| ▸ | BDKRB1 | P46663 | 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 | |
|---|---|---|---|---|
| SCHEMBL1366381 | 0.89 | CYP2C9 (0.45) | CYP2C9TACR3PPARGWDR5 | |
| SCHEMBL1366367 | 0.88 | CYP2C9 (0.50) | CYP2C9TACR3PPARG | |
| SCHEMBL7916360 | 0.87 | CYP2C9 (0.44) | CYP2C9TACR3SMYD3PPARGWDR5 | |
| SCHEMBL12149114 | 0.87 | CYP2C9 (0.44) | CYP2C9TACR3SMYD3PPARGWDR5 | |
| SCHEMBL11917814 | 0.86 | CYP2C9 (0.47) | CYP2C9TACR3KMT2APPARG | |
| SCHEMBL11917800 | 0.86 | CYP2C9 (0.47) | CYP2C9TACR3KMT2APPARG | |
| SCHEMBL12149149 | 0.86 | CYP2C9 (0.45) | CYP2C9TACR3PPARG | |
| SCHEMBL1366187 | 0.86 | CYP2C9 (0.46) | CYP2C9TACR3PPARGWDR5 | |
| SCHEMBL1364305 | 0.85 | CYP2C9 (0.46) | CYP2C9TACR3 | |
| SCHEMBL1364253 | 0.85 | CYP2C9 (0.45) | CYP2C9TACR3PPARG |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8415373-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2013-04-09 | — | — | US | disclosed |
| US-8415373-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2013-04-09 | — | — | US | disclosed |
| US-20110288120-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2011-11-24 | — | — | US | disclosed |
| US-20110288120-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2011-11-24 | — | — | US | disclosed |
| WO-2010045948-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-04-29 | — | — | WO | 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-20110288120-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | KCNK3, KCNQ3, KCNN3 | CYP2C9 2420/4885TACR3 36/4885ALPL 3434/4885 |
“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.