Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 8/20 | 0.36 |
| ▸ | GPR139 | Q6DWJ6 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.32 |
| ▸ | GNRHR | P30968 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RORA | P35398 | 1/20 | 0.31 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.31 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | PRNP | P04156 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14828547 | 0.82 | KDM4E (0.34) | GPR139KDM4EMEN1KMT2AGAA | |
| SCHEMBL14828533 | 0.81 | KMT2A (0.34) | GPR139KDM4EMEN1KMT2AGAA | |
| SCHEMBL2834258 | 0.80 | KDM4E (0.43) | GPR139KDM4EMEN1KMT2AGAA | |
| SCHEMBL2357893 | 0.78 | MEN1 (0.34) | GPR139KDM4EMEN1KMT2AGAA | |
| SCHEMBL1365733 | 0.78 | CYP2C9 (0.44) | ROCK2MEN1KMT2AALDH1A1 | |
| SCHEMBL14828543 | 0.78 | F2RL1 (0.41) | MEN1KMT2A | |
| SCHEMBL14828558 | 0.78 | TTR (0.34) | GPR139KDM4EMEN1KMT2AGAA | |
| SCHEMBL2358639 | 0.76 | — | — | |
| SCHEMBL18614791 | 0.71 | ROCK2 (0.36) | ROCK2ROCK1ALDH1A1 | |
| SCHEMBL2830105 | 0.71 | ATM (0.43) | KDM4EMEN1KMT2AGAAHPGD |
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 2 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 |