Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10019246 | 0.83 | MAPT (0.41) | EPHX1HAO1CES2CES1ALDH1A1 | |
| SCHEMBL777766 | 0.82 | HAO1 (0.42) | EPHX1HAO1CES2CES1GRM2 | |
| SCHEMBL30833436 | 0.82 | HAO1 (0.42) | EPHX1HAO1CES2CES1GRM2 | |
| SCHEMBL5745166 | 0.78 | MAOA (0.40) | EPHX1HAO1CES2CES1GRM2 | |
| SCHEMBL776700 | 0.78 | ACHE (0.43) | EPHX1HAO1ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL4278929 | 0.76 | APEX1 (0.64) | EPHX1CES2CES1ALDH1A1LMNA | |
| SCHEMBL10019247 | 0.75 | ALDH1A1 (0.38) | EPHX1HAO1ALDH1A1GRM2GRM3 | |
| SCHEMBL6610517 | 0.75 | HTR1A (0.40) | EPHX1HAO1ALDH1A1GRM2GRM3 | |
| SCHEMBL777274 | 0.75 | EPHX1 (0.38) | EPHX1HAO1LMNAL3MBTL1GRM2 | |
| SCHEMBL2799059 | 0.75 | ALDH1A1 (0.38) | EPHX1HAO1ALDH1A1GRM2GRM3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101006061-A | 1,5-diphenylpyrazoles | MERCK PATENT GMBH (DE) | 2007-07-25 | — | — | CN | disclosed |