Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 2/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.38 |
| ▸ | LDHA | P00338 | 3/20 | 0.36 |
| ▸ | LDHB | P07195 | 3/20 | 0.36 |
| ▸ | TYMP | P19971 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.34 |
| ▸ | EP300 | Q09472 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2013824 | 0.70 | LMNA (0.43) | PDE3BPDE3AALDH1A1KDM4ERAB9A | |
| SCHEMBL2010227 | 0.67 | CYP1A2 (0.52) | ALDH1A1KDM4ERAB9AHPGDMAPK1 | |
| SCHEMBL14989236 | 0.66 | LDHA (0.48) | LDHALDHBKDM4EEP300PSMD14 | |
| SCHEMBL22418967 | 0.66 | LDHA (0.48) | LDHALDHBKDM4EEP300PSMD14 | |
| SCHEMBL29953002 | 0.65 | BRD4 (0.51) | ALDH1A1BRD4BRPF1EP300CREBBP | |
| SCHEMBL797104 | 0.64 | LDHA (0.47) | LDHALDHBKDM4EEP300PSMD14 | |
| SCHEMBL9698976 | 0.64 | LDHA (0.47) | LDHALDHBKDM4EEP300PSMD14 | |
| SCHEMBL11760504 | 0.64 | DHODH (0.56) | TYMP | |
| SCHEMBL14989214 | 0.62 | LDHA (0.46) | LDHALDHBKDM4EEP300PSMD14 | |
| SCHEMBL28608597 | 0.62 | LDHA (0.46) | LDHALDHBKDM4EEP300PSMD14 |
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 |