Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 9/20 | 0.46 |
| ▸ | CES1 | P23141 | 8/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Benzil SCHEMBL10476773 | 0.92 | CES2 (0.54) | CES2CES1KMT2AMEN1CYP3A4 | |
| Benzil SCHEMBL10531234 | 0.92 | CES2 (0.54) | CES2CES1KMT2AMEN1CYP3A4 | |
| Benzil SCHEMBL10476771 | 0.92 | CES2 (0.54) | CES2CES1KMT2AMEN1CYP3A4 | |
| Benzil SCHEMBL10476776 | 0.92 | CES2 (0.54) | CES2CES1KMT2AMEN1CYP3A4 | |
| SCHEMBL166604 | 0.92 | CES2 (0.54) | CES2CES1KMT2AMEN1CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL3127805 | 0.90 | CES2 (0.52) | CES2CES1KMT2AMEN1CYP3A4 | |
| Hydrochloric Acid SCHEMBL9391095 | 0.88 | CES2 (0.50) | CES2CES1KMT2AMEN1CYP3A4 | |
| Benzil SCHEMBL10476779 | 0.85 | CES2 (0.67) | CES2CES1KMT2AMEN1CYP3A4 | |
| Benzil SCHEMBL10667616 | 0.85 | CES2 (0.67) | CES2CES1KMT2AMEN1CYP3A4 | |
| SCHEMBL27706797 | 0.81 | ALDH1A1 (0.55) | KMT2AMEN1CYP3A4CYP2C9AKR1B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1044998-B1 | Polyisocyanate prepolymer | MITSUBISHI GAS CHEMICAL CO (JP) | 2004-10-27 | — | — | EP | disclosed |
| EP-1044998-A1 | Polyisocyanate prepolymer | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2000-10-18 | — | — | EP | disclosed |