Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 2/20 | 0.39 |
| ▸ | LDHB | P07195 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PTGFR | P43088 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9947636 | 0.89 | TAAR1 (0.47) | TAAR1ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL9947638 | 0.85 | MEN1 (0.50) | TAAR1ALDH1A1KDM4ECYP1A2GLA | |
| SCHEMBL9947652 | 0.80 | GAA (0.47) | TAAR1ALDH1A1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL9947669 | 0.77 | MEN1 (0.49) | TAAR1ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL9947980 | 0.75 | TAAR1 (0.46) | TAAR1ALDH1A1KDM4ECYP1A2GLA | |
| SCHEMBL9947581 | 0.75 | NOTUM (0.47) | TAAR1ALDH1A1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL1976915 | 0.73 | GAA (0.46) | TAAR1ALDH1A1KDM4ECYP2C9HPGD | |
| SCHEMBL2035472 | 0.72 | GAA (0.50) | TAAR1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL1718433 | 0.71 | GAA (0.60) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11457576 | 0.71 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDMEN1KMT2A |
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 4 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 | claimed |
| US-8207347-B2 | Pyridone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-06-26 | — | — | US | claimed |
| 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 |