Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 5/20 | 0.48 |
| ▸ | CA2 | P00918 | 5/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.47 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.47 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7061292 | 0.86 | CES2 (0.58) | CES2CES1CA1CA2CA12 | |
| SCHEMBL8467442 | 0.83 | LMNA (0.59) | SMN1; SMN2LMNACYP2C19CYP1A2CYP2C9 | |
| SCHEMBL219040 | 0.82 | CES2 (0.54) | CES2CES1CA1CA2CA12 | |
| SCHEMBL6202766 | 0.81 | HPGD (0.66) | CES2CES1CA1CA2SMN1; SMN2 | |
| SCHEMBL6618980 | 0.80 | CES2 (0.52) | CES2CES1CA1CA2CA12 | |
| SCHEMBL8662363 | 0.80 | CA1 (0.56) | CES2CES1CA1CA2CA12 | |
| SCHEMBL7065322 | 0.80 | CA1 (0.54) | CES2CES1CA1CA2CA12 | |
| SCHEMBL8465167 | 0.80 | LIPE (0.49) | CES2CES1SMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL56202 | 0.79 | CES2 (0.56) | CES2CES1CA1CA2CA12 | |
| SCHEMBL28213866 | 0.78 | CA1 (0.57) | CES2CES1CA1CA2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-5892091-A | PHOSPHOROUS CATALYSTS AND HALOGEN ATOMS | UBE INDUSTRIES, LTD. (JP) | 1999-04-06 | — | — | US | disclosed |
| EP-0826658-A1 | Catalyst for decarbonylation reaction | UBE INDUSTRIES, LTD. (JP) | 1998-03-04 | — | — | EP | disclosed |