Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5188877 | 0.80 | CYP1A2 (0.60) | CYP1A2CYP2C19HPGDSMN1; SMN2MAPT | |
| SCHEMBL6023616 | 0.77 | LMNA (0.52) | CYP1A2CYP2C19HPGDSMN1; SMN2MAPT | |
| SCHEMBL2010798 | 0.75 | ALDH1A1 (0.53) | HPGDSMN1; SMN2MAPTKDM4EMEN1 | |
| SCHEMBL25253782 | 0.75 | SMN1; SMN2 (0.57) | CYP1A2CYP2C19HPGDSMN1; SMN2MAPT | |
| SCHEMBL26601966 | 0.74 | LMNA (0.56) | CYP1A2CYP2C19HPGDSMN1; SMN2MAPT | |
| SCHEMBL6024050 | 0.74 | SMN1; SMN2 (0.69) | CYP1A2CYP2C19HPGDSMN1; SMN2MAPT | |
| SCHEMBL68410 | 0.72 | SMN1; SMN2 (0.71) | CYP1A2CYP2C19HPGDSMN1; SMN2MAPT | |
| SCHEMBL11645963 | 0.72 | SMN1; SMN2 (0.61) | CYP1A2CYP2C19HPGDSMN1; SMN2MAPT | |
| SCHEMBL4354885 | 0.72 | PDE4D (0.47) | CYP1A2CYP2C19SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL11789541 | 0.71 | SMN1; SMN2 (0.65) | CYP1A2CYP2C19HPGDSMN1; SMN2MAPT |
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-2513061-A1 | PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011072691-A1 | PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2011-06-23 | — | — | WO | disclosed |