Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | MLYCD | O95822 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | 0.84 | GAA (0.61) | GAAHPGDTRPV1L3MBTL1MTNR1A | |
| SCHEMBL2148971 | 0.81 | GAA (0.61) | GAAHPGDTRPV1L3MBTL1POLB | |
| SCHEMBL3633516 | 0.74 | CYP2D6 (0.49) | POLBEPHX2MLYCDCYP2D6CYP2C9 | |
| SCHEMBL13209218 | 0.74 | GAA (1.00) | GAAHPGDTRPV1L3MBTL1EPHX2 | |
| SCHEMBL22275899 | 0.71 | TRPV1 (0.70) | GAAHPGDTRPV1L3MBTL1EPHX2 | |
| SCHEMBL1719085 | 0.71 | SLC6A9 (0.44) | HPGDPOLBEPHX2KMT2A | |
| SCHEMBL20932744 | 0.70 | TRPV1 (0.68) | GAAHPGDTRPV1L3MBTL1TAAR1 | |
| SCHEMBL5480878 | 0.69 | POLQ (0.41) | GAAHPGDHDAC1HDAC8POLB | |
| SCHEMBL6155598 | 0.69 | POLB (0.71) | GAAHPGDL3MBTL1POLBEPHX2 | |
| SCHEMBL4578260 | 0.69 | HDAC1 (1.00) | GAAHDAC1HDAC8POLBEPHX2 |
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 |