Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2060637 | 0.80 | ALDH1A1 (0.52) | KIF11ALDH1A1CYP3A4TAAR1IDO1 | |
| SCHEMBL26256084 | 0.79 | TACR1 (0.55) | KIF11TAAR1IDO1HTR2AHTR2C | |
| SCHEMBL5308325 | 0.79 | KIF11 (0.50) | KIF11ALDH1A1CYP3A4TAAR1IDO1 | |
| Hydrochloric Acid SCHEMBL29240545 | 0.78 | ALDH1A1 (0.50) | KIF11ALDH1A1CYP3A4TAAR1IDO1 | |
| Hydrochloric Acid SCHEMBL30324798 | 0.78 | ALDH1A1 (0.50) | KIF11ALDH1A1CYP3A4TAAR1IDO1 | |
| Hydrochloric Acid SCHEMBL25401140 | 0.78 | TACR1 (0.54) | KIF11TAAR1IDO1HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL29949230 | 0.78 | KIF11 (0.40) | KIF11ALDH1A1CYP3A4IDO1AGXT | |
| Hydrochloric Acid SCHEMBL26965558 | 0.78 | KIF11 (0.40) | KIF11ALDH1A1CYP3A4IDO1AGXT | |
| Hydrochloric Acid SCHEMBL27076803 | 0.78 | KIF11 (0.40) | KIF11ALDH1A1CYP3A4IDO1AGXT | |
| SCHEMBL17047080 | 0.78 | LMNA (0.50) | KIF11PARP1SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2264029-A1 | 1,3-DIHYDROISOBENZOFURAN DERIVATIVE | Kowa Company, Ltd. (JP) | 2010-12-22 | — | — | EP | disclosed |