Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10554073 | 1.00 | PTGS2 (0.41) | PTGS2ALDH1A1HRH3EPHX1NR2F2 | |
| SCHEMBL9617683 | 1.00 | PTGS2 (0.41) | PTGS2ALDH1A1HRH3EPHX1NR2F2 | |
| SCHEMBL11329621 | 0.85 | CHRM2 (0.34) | PTGS2ALDH1A1HRH3CHRM2CHRM4 | |
| SCHEMBL10551311 | 0.85 | KDM4E (0.41) | PTGS2CHRM3 | |
| SCHEMBL10551965 | 0.81 | OPRM1 (0.41) | PTGS2ALDH1A1EPHX1 | |
| SCHEMBL13460585 | 0.80 | HRH3 (0.41) | HRH3MAPK1 | |
| SCHEMBL6534227 | 0.80 | PTGS2 (0.44) | PTGS2ALDH1A1CYP2A6 | |
| SCHEMBL9680182 | 0.78 | POLB (0.37) | ALDH1A1HRH3MAPK1 | |
| SCHEMBL10646130 | 0.77 | HRH3 (0.37) | ALDH1A1HRH3MAPK1 | |
| SCHEMBL10557897 | 0.77 | KDM1A (0.42) | ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57130969-A | — | — | None | — | — | JP | disclosed |
| JP-58170775-A | — | — | None | — | — | JP | disclosed |
| JP-S58170775-A | PREPARATION OF OPTICALLY ACTIVE (S)-(-)-2-ACETYL-7-(2- HYDROXY-3-ISOPROPYLAMINOPROPOXY)BENZOFURAN HYDROCHLORIDE | KAKEN PHARMACEUT CO LTD | 1983-10-07 | — | — | JP | disclosed |
| JP-S57130969-A | PREPARATION OF INDOLE DERIVATIVE | NIKAIDO AKIRA | 1982-08-13 | — | — | JP | disclosed |