Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.37 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.34 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.34 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| SCHEMBL3379736 | 0.83 | MEN1 (0.34) | PTGDR2KAT2BALDH1A1PARP1KDM4E | |
| SCHEMBL14828521 | 0.81 | KMT2A (0.35) | PTGDR2ALDH1A1PARP1MEN1KMT2A | |
| SCHEMBL14828565 | 0.81 | PTGDR2 (0.42) | PTGDR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL7914022 | 0.81 | ROCK2 (0.33) | ADORA2BPTGDR2PTGER3 | |
| SCHEMBL2308886 | 0.81 | MEN1 (0.48) | PTGDR2KDM4ELMNAMEN1KMT2A | |
| SCHEMBL14828568 | 0.79 | CYP1B1 (0.39) | — | |
| SCHEMBL14828542 | 0.79 | ADORA2B (0.43) | ADORA2BPTGDR2KAT2BMEN1KMT2A | |
| SCHEMBL1367105 | 0.79 | CYP1B1 (0.39) | PTGDR2MEN1KMT2A | |
| SCHEMBL3346186 | 0.79 | ERCC5 (0.45) | ADORA2BALDH1A1FNTAFNTB | |
| SCHEMBL14828518 | 0.79 | MEN1 (0.34) | PTGDR2KAT2BMEN1KMT2A |
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 |