Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 5/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.36 |
| ▸ | APLNR | P35414 | 4/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2357888 | 0.85 | GRIN1 (0.38) | GRIN1GRIN2BKAT2BPOLBAKR1B1 | |
| SCHEMBL14828532 | 0.82 | GLP1R (0.35) | KAT2BPOLBAKR1B1MEN1KMT2A | |
| SCHEMBL14828545 | 0.82 | FEN1 (0.50) | AKR1B1MEN1KMT2A | |
| SCHEMBL14828565 | 0.82 | PTGDR2 (0.42) | MEN1KMT2APTGDR2 | |
| SCHEMBL14828557 | 0.81 | LMNA (0.40) | KAT2BPOLBAKR1B1MEN1KMT2A | |
| SCHEMBL2313634 | 0.80 | GNRHR (0.37) | AKR1B1MEN1KMT2AHSD17B13 | |
| SCHEMBL2309555 | 0.80 | FEN1 (0.48) | GRIN1GRIN2B | |
| SCHEMBL14828542 | 0.80 | ADORA2B (0.43) | KAT2BMEN1KMT2APTGDR2 | |
| SCHEMBL14828540 | 0.80 | ERCC5 (0.47) | GRIN1GRIN2BPOLB | |
| SCHEMBL2832433 | 0.79 | LMNA (0.38) | KAT2BPOLBMEN1KMT2A |
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 |
| US-8415373-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2013-04-09 | — | — | US | disclosed |
| EP-2350015-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010045948-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-04-29 | — | — | WO | disclosed |