Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 7/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CMA1 | P23946 | 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 | |
|---|---|---|---|---|
| SCHEMBL2308956 | 0.84 | KMT2A (0.35) | EDNRBKMT2AMEN1ATMFEN1 | |
| SCHEMBL14828516 | 0.83 | RORC (0.42) | KMT2AMEN1ATMFEN1MAPT | |
| SCHEMBL14828565 | 0.82 | PTGDR2 (0.42) | KMT2AMEN1ATMMAPTTP53 | |
| SCHEMBL2309555 | 0.80 | FEN1 (0.48) | FEN1MAPT | |
| SCHEMBL14828548 | 0.79 | PTGDR2 (0.47) | MAPTTP53POLB | |
| SCHEMBL3346327 | 0.78 | MAPT (0.43) | KMT2AMEN1FEN1MAPTTP53 | |
| SCHEMBL14828536 | 0.78 | ERCC5 (0.48) | KMT2AFEN1 | |
| SCHEMBL14828518 | 0.77 | MEN1 (0.34) | KMT2AMEN1ATMFEN1TP53 | |
| SCHEMBL2313628 | 0.77 | HTR2A (0.36) | EDNRBKMT2AMEN1FEN1POLB | |
| SCHEMBL2831862 | 0.77 | CNR2 (0.46) | KMT2AMEN1ATMMAPTPOLB |
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 |