Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.67 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.67 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.67 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.67 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | FYN | P06241 | 2/20 | 0.45 |
| ▸ | PIM1 | P11309 | 4/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.45 |
| ▸ | CDK2 | P24941 | 2/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11392971 | 0.88 | KDM4E (0.67) | KDM4EHSD17B10CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL11626491 | 0.88 | CYP1A2 (0.71) | KDM4EHSD17B10CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL11625699 | 0.85 | CYP1A2 (0.68) | KDM4EHSD17B10CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL11388563 | 0.85 | CYP1A2 (0.68) | KDM4EHSD17B10CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL11386062 | 0.83 | MET (0.57) | KDM4EHSD17B10CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL11388235 | 0.82 | KDM4E (0.57) | KDM4EHSD17B10CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL11393721 | 0.82 | MET (0.58) | KDM4EHSD17B10CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL11383868 | 0.82 | CYP1A2 (0.74) | KDM4EHSD17B10CYP1A2ALDH1A1CYP3A4 | |
| Ci-218872 SCHEMBL1320758 | 0.81 | KDM4E (1.00) | KDM4EHSD17B10CYP1A2ALDH1A1CYP3A4 | |
| Ci-218872 SCHEMBL29469726 | 0.81 | KDM4E (1.00) | KDM4EHSD17B10CYP1A2ALDH1A1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4260755-A | Novel 6-phenyl and substituted 6-phenyl-1,2,4-triazolo[4,3-b]pyridazines | AMERICAN CYANAMID COMPANY (US) | 1981-04-07 | — | — | US | claimed |
| WO-2006061428-A2 | GABA-A ALPHA 2 AND ALPHA 3 RECEPTOR AGONISTS FOR TREATING NEUROPATHIC, INFLAMMATORY AND MIGRAINE ASSOCIATED PAIN | Universität Zürich (CH) | 2006-06-15 | — | — | WO | disclosed |
| US-4260755-A | Novel 6-phenyl and substituted 6-phenyl-1,2,4-triazolo[4,3-b]pyridazines | AMERICAN CYANAMID COMPANY (US) | 1981-04-07 | — | — | US | disclosed |