Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 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 | |
|---|---|---|---|---|
| SCHEMBL9770 | 0.82 | TAAR1 (0.50) | CYP3A4AKR1B1TAAR1DPP4ALDH1A1 | |
| SCHEMBL11029873 | 0.80 | TAAR1 (0.48) | CYP3A4AKR1B1TAAR1DPP4ALDH1A1 | |
| SCHEMBL5356053 | 0.75 | TDP1 (0.67) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| Dibromomethane SCHEMBL7950072 | 0.75 | TDP1 (0.75) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| Dibromomethane SCHEMBL5329477 | 0.75 | TDP1 (0.75) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| SCHEMBL9804209 | 0.73 | CYP3A4 (0.50) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| 1,2-Dibromoethane SCHEMBL28837174 | 0.73 | TDP1 (0.71) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| 1,4-Dichlorobenzene SCHEMBL11803922 | 0.73 | CYP3A4 (0.71) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| SCHEMBL28407819 | 0.72 | CYP3A4 (0.52) | TDP1CYP3A4AKR1B1ESR1ESR2 | |
| Benzyl Bromide SCHEMBL1043932 | 0.72 | TSHR (0.70) | TDP1CYP3A4ESR1ESR2TAAR1 |
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-0757682-B1 | BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION | FUJISAWA PHARMACEUTICAL CO (JP) | 2001-06-20 | — | — | EP | disclosed |
| EP-0757682-A1 | BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-02-12 | — | — | EP | disclosed |