Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | USP14 | P54578 | 3/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2676863 | 1.00 | ALDH1A1 (0.40) | ALDH1A1NPSR1L3MBTL1MAPK1HDAC3 | |
| SCHEMBL2675206 | 1.00 | ALDH1A1 (0.40) | ALDH1A1NPSR1L3MBTL1MAPK1HDAC3 | |
| SCHEMBL2677266 | 0.93 | ALDH1A1 (0.50) | ALDH1A1NPSR1L3MBTL1MAPK1TSHR | |
| SCHEMBL2677338 | 0.93 | USP14 (0.41) | NPSR1L3MBTL1MAPK1TSHRUSP14 | |
| SCHEMBL2676260 | 0.85 | ACHE (0.45) | ALDH1A1NPSR1L3MBTL1MAPK1TSHR | |
| SCHEMBL2674644 | 0.85 | MAPK1 (0.42) | ALDH1A1NPSR1L3MBTL1MAPK1KDM4E | |
| SCHEMBL2676543 | 0.84 | NPSR1 (0.39) | NPSR1L3MBTL1MAPK1TSHRMEN1 | |
| SCHEMBL2676251 | 0.84 | DRD4 (0.44) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL2676758 | 0.84 | HRH3 (0.46) | ALDH1A1NPSR1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL2677258 | 0.84 | DRD2 (0.43) | ALDH1A1POLB |
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 8 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 | claimed |
| EP-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | claimed |
| US-20090143402-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-06-04 | — | — | US | claimed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | claimed |
| US-8173639-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-05-08 | — | — | US | disclosed |
| EP-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | disclosed |
| US-20090143402-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-06-04 | — | — | US | disclosed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | 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-20090143402-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | KCNQ3, KCNK3, GRIK3 | ALDH1A1 2304/4885NPSR1 182/4885L3MBTL1 4591/4885 |
“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.