Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WEE1 | P30291 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL903731 | 0.79 | ALDH1A1 (0.43) | KDM4EALDH1A1BCHEACHEHPGD | |
| SCHEMBL1985482 | 0.73 | WEE1 (0.40) | WEE1KDM4EALDH1A1BCHEACHE | |
| SCHEMBL26768304 | 0.66 | KDM4E (0.50) | KDM4EALDH1A1PTGS1PTGS2ESR1 | |
| SCHEMBL30629205 | 0.66 | KDM4E (0.50) | KDM4EALDH1A1PTGS1PTGS2ESR1 | |
| SCHEMBL11808516 | 0.66 | BCHE (0.67) | WEE1KDM4EALDH1A1BCHEACHE | |
| SCHEMBL17518127 | 0.65 | KDM4E (0.40) | KDM4EALDH1A1ESR1ESR2HPGD | |
| SCHEMBL28580853 | 0.65 | KDM4E (0.53) | WEE1KDM4EALDH1A1ESR1ESR2 | |
| SCHEMBL6955129 | 0.64 | CYP2C19 (0.36) | WEE1KDM4EALDH1A1LMNAGAA | |
| SCHEMBL6828099 | 0.63 | MAPT (0.47) | KDM4EALDH1A1ALOX5PTGS1PTGS2 | |
| SCHEMBL10847855 | 0.63 | KDM4E (0.47) | KDM4EALDH1A1PTGS1PTGS2ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012040924-A1 | FUSED TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |
| WO-2012041227-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |