Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | P4HB | P07237 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TACR2 | P21452 | 1/20 | 0.33 |
| ▸ | TACR3 | P29371 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL2678243 | 0.90 | KDM4E (0.41) | KMT2AKDM4EMEN1MAPTNPSR1 | |
| SCHEMBL3632718 | 0.83 | CHRM2 (0.39) | KMT2AMEN1 | |
| SCHEMBL3632605 | 0.82 | ALDH1A1 (0.37) | KMT2AMAPTTSHRP4HBAPP | |
| SCHEMBL2676371 | 0.81 | MAPT (0.41) | KMT2AKDM4EMEN1MAPTNPSR1 | |
| SCHEMBL1719001 | 0.81 | TACR2 (0.43) | KDM4EMAPTNPSR1TSHRP4HB | |
| SCHEMBL2677815 | 0.79 | HTR1A (0.46) | KMT2AMEN1MAPTP4HBALDH1A1 | |
| SCHEMBL2676766 | 0.79 | MCL1 (0.46) | KMT2AKDM4EMEN1MAPTNPSR1 | |
| SCHEMBL3632002 | 0.78 | ADRA1D (0.42) | KMT2AMEN1 | |
| SCHEMBL2675429 | 0.78 | SLC2A1 (0.41) | KMT2AKDM4EMEN1MAPTNPSR1 | |
| SCHEMBL2675780 | 0.78 | ALDH1A1 (0.48) | KDM4EMAPTNPSR1TSHRP4HB |
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-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | claimed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | claimed |