Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 6/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CPT1A | P50416 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.34 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TOP2A | P11388 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9302311 | 0.89 | CYP11B2 (0.44) | CYP11B2CYP11B1KDM4EALDH1A1HTT | |
| Hydrochloric Acid SCHEMBL9302957 | 0.88 | CYP11B1 (0.43) | CYP11B2CYP11B1KDM4EALDH1A1HTT | |
| SCHEMBL9301681 | 0.87 | HTT (0.42) | CYP11B2CYP11B1HTTLMNAMAPT | |
| SCHEMBL9847735 | 0.82 | HTT (0.43) | KDM4EALDH1A1HTTLMNAHPGD | |
| SCHEMBL9301969 | 0.82 | GRM5 (0.42) | CYP11B2CYP11B1ALDH1A1HTTLMNA | |
| SCHEMBL9847728 | 0.80 | OGFRL1 (0.38) | CYP11B2CYP11B1HPGDCPT1ASMN1; SMN2 | |
| SCHEMBL9847732 | 0.80 | HTT (0.43) | CYP11B2CYP11B1KDM4EALDH1A1HTT | |
| SCHEMBL9847718 | 0.79 | CYP11B2 (0.35) | CYP11B2CYP11B1KDM4EALDH1A1HTT | |
| SCHEMBL9301682 | 0.78 | RORC (0.42) | CYP11B2CYP11B1HTTLMNAMAPT | |
| Acetic Acid SCHEMBL9301936 | 0.76 | CYP11B2 (0.44) | CYP11B2CYP11B1KDM4EALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-5283248-A | Bactericides, enzyme inhibitor of DNA-gyrase in bacteria | HOFFMANN-LA ROCHE INC. (US) | 1994-02-01 | — | — | US | disclosed |
| EP-0433648-A1 | Substituted pyrimidobenzimidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-06-26 | — | — | EP | disclosed |