Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14077013 | 0.74 | KDM4E (0.55) | KDM4EHSD17B10ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6915245 | 0.73 | KDM4E (0.48) | KDM4EHSD17B10ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7435538 | 0.72 | GRM5 (0.38) | HSD17B10ALDH1A1CYP1A2CYP3A4KCNH2 | |
| SCHEMBL1720026 | 0.71 | PTGS2 (0.49) | KDM4EHSD17B10ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1720476 | 0.71 | PTGS2 (0.49) | KDM4EHSD17B10ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL27888810 | 0.70 | PTGS2 (0.46) | KDM4EHSD17B10ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL27888812 | 0.70 | KMT2A (0.51) | KDM4EHSD17B10ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL2662898 | 0.70 | PTPN5 (0.62) | KDM4EHSD17B10ALDH1A1IKBKBBRD4 | |
| SCHEMBL12832618 | 0.70 | NPC1 (0.47) | KDM4EHSD17B10ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL22633138 | 0.70 | TLR8 (0.51) | KDM4EHSD17B10ALDH1A1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0452926-B1 | 5-aryl-4-alkyl-3H-1,2,4-triazole-3-thiones useful as memory enhancers | MERRELL DOW PHARMA (US) | 1996-03-13 | — | — | EP | disclosed |