Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3632769 | 0.90 | GABRA2 (0.51) | ALDH1A1KDM4EMEN1HPGDKMT2A | |
| SCHEMBL3631893 | 0.90 | GABRA2 (0.47) | ALDH1A1KDM4EMEN1HPGDKMT2A | |
| SCHEMBL3632913 | 0.89 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDMAPTGAA | |
| SCHEMBL3634946 | 0.87 | ALDH1A1 (0.51) | ALDH1A1KDM4EMEN1HPGDKMT2A | |
| SCHEMBL3631888 | 0.86 | THRB (0.41) | ALDH1A1KDM4EMEN1HPGDKMT2A | |
| SCHEMBL3626683 | 0.85 | NOTUM (0.42) | ALDH1A1KDM4EMEN1HPGDKMT2A | |
| SCHEMBL3633798 | 0.83 | GABRA2 (0.52) | ALDH1A1KDM4EMEN1HPGDKMT2A | |
| SCHEMBL3634504 | 0.81 | ALDH1A1 (0.43) | ALDH1A1KDM4EMEN1HPGDKMT2A | |
| SCHEMBL3631808 | 0.78 | ALDH1A1 (0.43) | ALDH1A1KDM4EMEN1HPGDKMT2A | |
| SCHEMBL3628060 | 0.76 | ALKBH5 (0.37) | ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2 |
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 | disclosed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | disclosed |