Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.32 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14828521 | 0.85 | KMT2A (0.35) | MEN1KMT2APARP1AKR1B1ATM | |
| SCHEMBL3380581 | 0.83 | ADORA2B (0.42) | MEN1KMT2APARP1ALDH1A1PTGDR2 | |
| SCHEMBL14828565 | 0.83 | PTGDR2 (0.42) | MEN1KMT2AATMALDH1A1MAPT | |
| SCHEMBL2308886 | 0.80 | MEN1 (0.48) | MEN1KMT2APOLBHTTPTGDR2 | |
| SCHEMBL3352675 | 0.79 | MEN1 (0.34) | MEN1KMT2AAKR1B1ATMPOLB | |
| SCHEMBL3346186 | 0.79 | ERCC5 (0.45) | ALDH1A1FEN1 | |
| SCHEMBL14828518 | 0.78 | MEN1 (0.34) | MEN1KMT2AAKR1B1ATMPOLB | |
| SCHEMBL2832433 | 0.78 | LMNA (0.38) | MEN1KMT2AATMPOLBALDH1A1 | |
| SCHEMBL2831862 | 0.78 | CNR2 (0.46) | MEN1KMT2AATMPOLBALDH1A1 | |
| SCHEMBL14828548 | 0.78 | PTGDR2 (0.47) | POLBMAPTPTGDR2 |
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 3 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 |
| WO-2010045948-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-04-29 | — | — | WO | disclosed |