Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | HPGD | P15428 | 2/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.69 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.69 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.69 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.69 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.69 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.60 |
| ▸ | BRD4 | O60885 | 2/20 | 0.58 |
| ▸ | LIN28A | Q9H9Z2 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | FYN | P06241 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11623975 | 0.85 | KDM4E (0.68) | KDM4EHSD17B10CYP1A2ALDH1A1HPGD | |
| SCHEMBL10389396 | 0.82 | KDM4E (0.65) | KDM4EHSD17B10CYP1A2ALDH1A1HPGD | |
| SCHEMBL2764591 | 0.82 | KDM4E (0.68) | KDM4EHSD17B10CYP1A2ALDH1A1HPGD | |
| SCHEMBL11623112 | 0.82 | KDM4E (0.65) | KDM4EHSD17B10CYP1A2ALDH1A1HPGD | |
| SCHEMBL31265357 | 0.82 | KDM4E (0.65) | KDM4EHSD17B10CYP1A2ALDH1A1HPGD | |
| SCHEMBL4502162 | 0.82 | FYN (0.52) | KDM4EHSD17B10CYP1A2ALDH1A1HPGD | |
| SCHEMBL11647246 | 0.82 | MET (0.59) | KDM4EHSD17B10CYP1A2ALDH1A1HPGD | |
| Ci-218872 SCHEMBL1320758 | 0.82 | KDM4E (1.00) | KDM4EHSD17B10CYP1A2ALDH1A1HPGD | |
| Ci-218872 SCHEMBL29469726 | 0.82 | KDM4E (1.00) | KDM4EHSD17B10CYP1A2ALDH1A1HPGD | |
| SCHEMBL11628660 | 0.81 | KDM4E (0.59) | KDM4EHSD17B10CYP1A2ALDH1A1HPGD |
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-4112095-A | 6-Phenyl-1,2,4-triazolo[4,3-b]pyridazine hypotensive agents | AMERICAN CYANAMID COMPANY (US) | 1978-09-05 | — | — | US | disclosed |