Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | FNTA | P49354 | 1/20 | 0.40 |
| ▸ | FNTB | P49356 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1073587 | 0.78 | CES1 (0.46) | CES1CES2AKR1B1TSHRMEN1 | |
| SCHEMBL9292426 | 0.76 | CES1 (0.44) | CES1CES2AKR1B1TSHRMEN1 | |
| SCHEMBL669706 | 0.76 | CES1 (0.56) | CES1CES2AKR1B1TSHRMEN1 | |
| SCHEMBL7549409 | 0.75 | CES1 (0.43) | CES1CES2AKR1B1TSHRMEN1 | |
| SCHEMBL7549410 | 0.75 | CES1 (0.43) | CES1CES2AKR1B1TSHRMEN1 | |
| SCHEMBL8168567 | 0.75 | CES1 (0.43) | CES1CES2AKR1B1TSHRMEN1 | |
| Ammonia Solution, Strong SCHEMBL11111905 | 0.75 | CES1 (0.54) | CES1CES2AKR1B1TSHRMEN1 | |
| SCHEMBL9231663 | 0.75 | AKT1 (0.45) | CES1CES2AKR1B1TSHRMEN1 | |
| SCHEMBL21791732 | 0.73 | CES1 (0.41) | CES1CES2AKR1B1TSHRMEN1 | |
| Oxalic Acid SCHEMBL29268820 | 0.73 | CES1 (0.52) | CES1CES2AKR1B1TSHRMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0905121-A1 | o-nitro(thio)phenol compounds and their preparation | SIEMENS AKTIENGESELLSCHAFT (DE) | 1999-03-31 | — | — | EP | disclosed |