Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | LDHA | P00338 | 2/20 | 0.36 |
| ▸ | LDHB | P07195 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | KDM6B | O15054 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9947675 | 0.88 | LDHA (0.38) | CYP1A2CYP2C9LDHALDHBALDH1A1 | |
| SCHEMBL1976296 | 0.85 | CYP3A4 (0.40) | CYP1A2CYP2C9ALDH1A1MAPK1CYP3A4 | |
| SCHEMBL1976717 | 0.84 | ALDH1A1 (0.44) | CYP1A2CYP2C9ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL1976987 | 0.73 | KDM4E (0.40) | CYP1A2LDHALDHBALDH1A1SMN1; SMN2 | |
| SCHEMBL2832854 | 0.72 | LMNA (0.40) | ALDH1A1KDM4ETSHRL3MBTL1CA12 | |
| SCHEMBL1979648 | 0.72 | HCAR2 (0.31) | HCAR3 | |
| SCHEMBL1971761 | 0.72 | HCAR3 (0.31) | HCAR3 | |
| SCHEMBL21826182 | 0.70 | ALDH1A1 (0.48) | LDHALDHBALDH1A1SMN1; SMN2MAPK1 | |
| SCHEMBL9947969 | 0.69 | KDM4E (0.35) | ALDH1A1SMN1; SMN2MAPK1HCAR3KDM4E | |
| SCHEMBL9947686 | 0.68 | ALDH1A1 (0.43) | LDHALDHBALDH1A1SMN1; SMN2MAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8207347-B2 | Pyridone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-06-26 | — | — | US | disclosed |