Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 4/20 | 0.53 |
| ▸ | ATR | Q13535 | 2/20 | 0.46 |
| ▸ | ATRIP | Q8WXE1 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 3/20 | 0.42 |
| ▸ | PIM1 | P11309 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21233160 | 0.81 | COMT (0.51) | COMTATRATRIPALDH1A1HPGDS | |
| SCHEMBL22952459 | 0.78 | COMT (0.49) | COMTATRATRIPALDH1A1HPGDS | |
| SCHEMBL21233158 | 0.73 | CYP11B2 (0.44) | ALDH1A1CYP11B2NPC1POLBRAB9A | |
| SCHEMBL21233275 | 0.73 | CYP11B2 (0.40) | ATRATRIPALDH1A1CYP11B2POLB | |
| SCHEMBL10053494 | 0.71 | PRMT5 (0.39) | ATRATRIPALDH1A1CYP11B2POLB | |
| SCHEMBL21233176 | 0.71 | COMT (0.49) | COMTALDH1A1HPGDSPIM1NPC1 | |
| SCHEMBL21241208 | 0.69 | IDO1 (0.45) | ALDH1A1CYP11B2IDO1BRD4 | |
| SCHEMBL21241223 | 0.68 | IDO1 (0.40) | COMTALDH1A1CYP11B2IDO1POLB | |
| SCHEMBL26086754 | 0.67 | TTK (0.47) | ALDH1A1CYP11B2POLBMAPTBRD4 | |
| SCHEMBL26089925 | 0.67 | TTK (0.49) | CYP11B2MAPTBRD4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019149260-A1 | PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | 青岛清原化合物有限公司 | 2019-08-08 | — | — | WO | disclosed |