Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | COMT | P21964 | 1/20 | 0.35 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 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 | |
|---|---|---|---|---|
| SCHEMBL3628254 | 0.88 | MEN1 (0.57) | MEN1KMT2AMAPK1GAAALDH1A1 | |
| SCHEMBL3632614 | 0.86 | MEN1 (0.45) | MEN1KMT2AMAPK1NOTUMGAA | |
| SCHEMBL1032110 | 0.84 | MEN1 (0.43) | MEN1KMT2AMAPK1NOTUMGAA | |
| SCHEMBL4316385 | 0.84 | MEN1 (0.43) | MEN1KMT2AMAPK1NOTUMGAA | |
| SCHEMBL3630831 | 0.82 | MEN1 (0.47) | MEN1KMT2ANOTUMALDH1A1KDM4E | |
| SCHEMBL3631870 | 0.81 | MEN1 (0.40) | MEN1KMT2AMAPK1NOTUMALDH1A1 | |
| SCHEMBL3632681 | 0.80 | L3MBTL1 (0.41) | MEN1KMT2AMAPK1NOTUMALDH1A1 | |
| SCHEMBL3633919 | 0.78 | MEN1 (0.45) | MEN1KMT2AMAPK1NOTUMGAA | |
| SCHEMBL3634031 | 0.76 | PLA2G4A (0.35) | MEN1KMT2AMAPK1 | |
| SCHEMBL3632665 | 0.75 | ABCB1 (0.50) | MEN1KMT2ANOTUMALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | disclosed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | disclosed |