Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | PARG | Q86W56 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL14828565 | 0.82 | PTGDR2 (0.42) | ALDH1A1MAPTKMT2AMEN1ATM | |
| SCHEMBL2309555 | 0.80 | FEN1 (0.48) | ALDH1A1MAPT | |
| SCHEMBL14828536 | 0.80 | ERCC5 (0.48) | KMT2APARG | |
| SCHEMBL14828518 | 0.80 | MEN1 (0.34) | POLBAKR1B1KMT2AMEN1ATM | |
| SCHEMBL2308886 | 0.79 | MEN1 (0.48) | POLBKMT2AMEN1TSHR | |
| SCHEMBL14828557 | 0.79 | LMNA (0.40) | ALDH1A1MAPTPOLBAKR1B1KMT2A | |
| SCHEMBL3346327 | 0.78 | MAPT (0.43) | ALDH1A1MAPTPOLBKMT2AMEN1 | |
| SCHEMBL1367105 | 0.78 | CYP1B1 (0.39) | KMT2AMEN1 | |
| SCHEMBL2313634 | 0.78 | GNRHR (0.37) | AKR1B1KMT2AMEN1PARG | |
| SCHEMBL14828521 | 0.78 | KMT2A (0.35) | ALDH1A1MAPTPOLBAKR1B1KMT2A |
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 |