Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.55 |
| ▸ | CES1 | P23141 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27477632 | 0.91 | CES2 (0.52) | CES2CES1ALDH1A1ALOX15GAA | |
| Acetamide SCHEMBL28249676 | 0.88 | CES2 (0.50) | CES2CES1ALDH1A1ALOX15GAA | |
| Butanone SCHEMBL27928716 | 0.84 | ALDH1A1 (0.50) | CES2CES1ALDH1A1ALOX15GAA | |
| Acetone SCHEMBL28833411 | 0.84 | CES2 (0.46) | CES2CES1ALDH1A1ALOX15GAA | |
| Methyl Alcohol SCHEMBL27855307 | 0.83 | ACHE (0.56) | CES2CES1ALDH1A1ALOX15GAA | |
| Acetone SCHEMBL27437534 | 0.82 | ALDH1A1 (0.46) | CES2CES1ALDH1A1ALOX15GAA | |
| Urea SCHEMBL27494998 | 0.81 | CES2 (0.55) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL45406 | 0.79 | — | — | |
| SCHEMBL29352330 | 0.79 | — | — | |
| Fluorobenzene SCHEMBL5606691 | 0.79 | CES2 (0.46) | CES2CES1ALDH1A1ALOX15SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102807563-B | Method for preparing voriconazole and intermediate thereof | NANJING HUAWE MEDICINE TECHNOLOGY DEV CO LTD | 2015-05-20 | — | — | CN | disclosed |
| CN-102503794-B | Method for preparing fluorine-containing substituted phenyl ketone | ASYMCHEM LAB TIANJIN CO LTD | 2014-01-01 | — | — | CN | disclosed |