Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.75 |
| ▸ | ESR1 | P03372 | 4/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Dibromomethane SCHEMBL5329477 | 1.00 | TDP1 (0.75) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| 1,2-Dibromoethane SCHEMBL28837174 | 0.91 | TDP1 (0.71) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| SCHEMBL5356053 | 0.88 | TDP1 (0.67) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| Bromoethane SCHEMBL43961 | 0.88 | TDP1 (0.67) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11863762 | 0.87 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| SCHEMBL5028587 | 0.87 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| SCHEMBL101 | 0.87 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| Benzene SCHEMBL6890099 | 0.87 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| SCHEMBL2085135 | 0.87 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| SCHEMBL319391 | 0.86 | TDP1 (0.63) | TDP1CYP3A4ESR1ESR2ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001038287-A1 | ADDUCTS OF GLYCIDYLESTERS OF α,α-BRANCHED CARBOXYLIC ACIDS AND CARBOXYLIC ACIDS AND PROCESS FOR THEIR PREPARATION | RESOLUTION RESEARCH NEDERLAND B.V. (NL) | 2001-05-31 | — | — | WO | disclosed |
| EP-0244015-B1 | DEACTIVATION OF PHOSPHONIUM SALT CATALYST | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-07-15 | — | — | EP | disclosed |
| EP-0209174-B1 | PROCESS FOR PREPARING ADVANCED EPOXY RESIN COMPOSITIONS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-03-04 | — | — | EP | disclosed |
| EP-0244015-A2 | Deactivation of phosphonium salt catalyst | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1987-11-04 | — | — | EP | disclosed |
| EP-0209174-A2 | Process for preparing advanced epoxy resin compositions | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1987-01-21 | — | — | EP | disclosed |