Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.49 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.49 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | KMO | O15229 | 2/20 | 0.45 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.44 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17290745 | 1.00 | KDM4E (0.49) | KDM4EALDH1A1CYP1A2CYP3A4GABRA1 | |
| SCHEMBL22633138 | 0.83 | TLR8 (0.51) | KDM4EALDH1A1CYP1A2CYP3A4GABRA1 | |
| SCHEMBL17290824 | 0.83 | PTGS2 (0.44) | KDM4EALDH1A1HPGDCTSSIDO1 | |
| SCHEMBL8842832 | 0.80 | KMO (0.53) | KDM4EALDH1A1CYP1A2CYP3A4GABRA1 | |
| SCHEMBL25645955 | 0.80 | ESR2 (0.44) | KDM4EHPGDHSD17B10IDO1LMNA | |
| SCHEMBL23402778 | 0.78 | NPC1 (0.49) | KDM4EALDH1A1HPGDIDO1LMNA | |
| SCHEMBL10960863 | 0.77 | CA12 (0.47) | KDM4EALDH1A1CYP1A2CYP3A4GABRA1 | |
| SCHEMBL16667664 | 0.77 | CYP11B1 (0.50) | KDM4EALDH1A1HPGDHSD17B10TDP1 | |
| SCHEMBL9383785 | 0.76 | KDM4E (0.56) | KDM4EALDH1A1CYP1A2CYP3A4GABRA1 | |
| SCHEMBL16664764 | 0.76 | IDO1 (0.44) | IDO1KMOTLR8F2RL3FYN |
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-3148972-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | Cardioxyl Pharmaceuticals Inc. (US) | 2017-04-05 | — | — | EP | disclosed |
| WO-2015183839-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2015-12-03 | — | — | WO | disclosed |