Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNRHR | P30968 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GLP1R | P43220 | 3/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.33 |
| ▸ | KLK1 | P06870 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 2/20 | 0.32 |
| ▸ | PARG | Q86W56 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14828532 | 0.81 | GLP1R (0.35) | MEN1KMT2AGLP1RAKR1B1 | |
| SCHEMBL2309555 | 0.81 | FEN1 (0.48) | SCN9AGLP1RFEN1 | |
| SCHEMBL14828565 | 0.81 | PTGDR2 (0.42) | GNRHRMEN1KMT2A | |
| SCHEMBL2313628 | 0.81 | HTR2A (0.36) | GNRHRMEN1KMT2AFEN1 | |
| SCHEMBL2357888 | 0.80 | GRIN1 (0.38) | MEN1KMT2AAKR1B1 | |
| SCHEMBL2306409 | 0.80 | GRIN1 (0.36) | MEN1KMT2AHSD17B13AKR1B1 | |
| SCHEMBL1367105 | 0.79 | CYP1B1 (0.39) | SCN9ASCN10AMEN1KMT2AGLP1R | |
| SCHEMBL14828545 | 0.79 | FEN1 (0.50) | GNRHRSCN9AMEN1KMT2AKLK1 | |
| SCHEMBL14828518 | 0.79 | MEN1 (0.34) | MEN1KMT2AGLP1RFEN1AKR1B1 | |
| SCHEMBL2308886 | 0.78 | MEN1 (0.48) | MEN1KMT2AFEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8415373-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2013-04-09 | — | — | US | claimed |
| EP-2350015-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-08-03 | — | — | EP | claimed |
| WO-2010045948-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-04-29 | — | — | WO | claimed |
| US-8415373-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2013-04-09 | — | — | US | disclosed |