Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.55 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.49 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.49 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.49 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2149625 | 0.85 | GAA (0.61) | GAAHPGDL3MBTL1TRPV1MTNR1A | |
| SCHEMBL3633767 | 0.81 | GAA (0.57) | GAAHPGDL3MBTL1TRPV1MTNR1A | |
| SCHEMBL13209218 | 0.77 | GAA (1.00) | GAAHPGDL3MBTL1TRPV1LMNA | |
| SCHEMBL22275899 | 0.74 | TRPV1 (0.70) | GAAHPGDL3MBTL1TRPV1LMNA | |
| SCHEMBL11976711 | 0.74 | L3MBTL1 (0.77) | GAAHPGDL3MBTL1TRPV1POLB | |
| SCHEMBL20932744 | 0.73 | TRPV1 (0.68) | GAAHPGDL3MBTL1TRPV1LMNA | |
| SCHEMBL2336044 | 0.72 | AKR1B1 (0.62) | — | |
| SCHEMBL164622 | 0.72 | L3MBTL1 (0.72) | GAAHPGDL3MBTL1TRPV1POLB | |
| SCHEMBL28992287 | 0.71 | ERCC1 (0.68) | GAAL3MBTL1LMNAMAPTCYP2D6 | |
| SCHEMBL7201053 | 0.71 | L3MBTL1 (0.89) | GAAHPGDL3MBTL1TRPV1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2342182-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-07-13 | — | — | EP | disclosed |
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | disclosed |
| 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 |