Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | LDHA | P00338 | 5/20 | 0.42 |
| ▸ | LDHB | P07195 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALB | P02768 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ALKBH5 | Q6P6C2 | 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 | |
|---|---|---|---|---|
| SCHEMBL1977698 | 0.80 | CYP3A4 (0.46) | ALDH1A1MAPK1CYP3A4ACHEMAPT | |
| SCHEMBL21826182 | 0.78 | ALDH1A1 (0.48) | ALDH1A1MAPK1SMN1; SMN2LDHALDHB | |
| SCHEMBL1974854 | 0.78 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2CYP3A4MAPTKDM4E | |
| SCHEMBL1976987 | 0.72 | KDM4E (0.40) | ALDH1A1MAPK1SMN1; SMN2LDHALDHB | |
| SCHEMBL1976260 | 0.72 | GAA (0.52) | ALDH1A1SMN1; SMN2CYP3A4MAPTNOTUM | |
| SCHEMBL9947675 | 0.70 | LDHA (0.38) | ALDH1A1MAPK1SMN1; SMN2LDHALDHB | |
| SCHEMBL11457649 | 0.68 | ALDH1A1 (0.43) | ALDH1A1MAPK1SMN1; SMN2MAPTNOTUM | |
| SCHEMBL11455800 | 0.68 | NOTUM (0.54) | ALDH1A1MAPK1SMN1; SMN2MAPTNOTUM | |
| SCHEMBL9947724 | 0.68 | CYP1A2 (0.38) | ALDH1A1MAPK1SMN1; SMN2LDHALDHB | |
| SCHEMBL11462558 | 0.68 | ALKBH5 (0.43) | ALDH1A1MAPK1MAPTNOTUMKDM4E |
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 |
| US-8207347-B2 | Pyridone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-06-26 | — | — | US | disclosed |