Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NCOA2 | Q15596 | 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 | |
|---|---|---|---|---|
| SCHEMBL1550103 | 0.77 | SMN1; SMN2 (0.39) | KMT2ARXFP1KDM4EMEN1USP2 | |
| SCHEMBL1550977 | 0.77 | DPP4 (0.32) | KDM4E | |
| SCHEMBL4316385 | 0.76 | MEN1 (0.43) | ALDH1A1KMT2AKDM4EMEN1LMNA | |
| SCHEMBL1551329 | 0.75 | AKR1C3 (0.37) | KMT2AAKR1C3MEN1POLBLMNA | |
| SCHEMBL3632665 | 0.75 | ABCB1 (0.50) | ALDH1A1KMT2AKDM4EMEN1LMNA | |
| SCHEMBL4284158 | 0.74 | ABCB1 (0.37) | — | |
| SCHEMBL3634622 | 0.74 | NOTUM (0.45) | KMT2ANPSR1KDM4EMEN1POLB | |
| SCHEMBL3236146 | 0.73 | BRD4 (0.31) | KMT2AMEN1POLB | |
| SCHEMBL4288252 | 0.73 | ABCB1 (0.37) | KMT2AMEN1 | |
| SCHEMBL3633358 | 0.72 | NOTUM (0.44) | ALDH1A1KMT2AKDM4EMEN1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2313391-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-04-27 | — | — | EP | claimed |
| WO-2009156339-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-12-30 | — | — | WO | claimed |