Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 6/20 | 0.39 |
| ▸ | CES2 | O00748 | 5/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.31 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19212521 | 0.92 | CES2 (0.43) | ALDH1A1CES1CES2TP53DNM1 | |
| SCHEMBL197706 | 0.88 | ALDH1A1 (0.37) | ALDH1A1CES1CES2TSHR | |
| SCHEMBL886933 | 0.79 | ALDH1A1 (0.30) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5506899 | 0.77 | — | — | |
| SCHEMBL5528823 | 0.77 | CES1 (0.44) | ALDH1A1CES1CES2TP53CA1 | |
| SCHEMBL20163589 | 0.77 | CES1 (0.44) | ALDH1A1CES1CES2TP53CA1 | |
| SCHEMBL15641313 | 0.72 | CES1 (0.39) | ALDH1A1CES1CES2TP53CA1 | |
| SCHEMBL3355745 | 0.72 | CES1 (0.39) | ALDH1A1CES1CES2TP53CA1 | |
| SCHEMBL7657118 | 0.71 | AKR1B1 (0.50) | ALDH1A1CES1CES2MEN1CYP1A2 | |
| SCHEMBL7657108 | 0.71 | AKR1B1 (0.50) | ALDH1A1CES1CES2MEN1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1509568-A1 | RUBBER MIXTURES CONTAINING QUATERNARY POLYMERS AND POLAR SOFTENING AGENTS | Lanxess Deutschland GmbH (DE) | 2005-03-02 | — | — | EP | disclosed |
| WO-2003099921-A1 | RUBBER MIXTURES CONTAINING QUATERNARY POLYMERS AND POLAR SOFTENING AGENTS | LANXESS DEUTSCHLAND GMBH (DE) | 2003-12-04 | — | — | WO | disclosed |
| WO-2002020632-A1 | QUATERNARY POLYMERS WITH FUNCTIONAL AMINE GROUPS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-03-14 | — | — | WO | disclosed |