Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4874637 | 1.00 | KIF11 (0.50) | KIF11ALDH1A1CYP3A4ACHECA1 | |
| SCHEMBL5324674 | 1.00 | KIF11 (0.50) | KIF11ALDH1A1CYP3A4ACHECA1 | |
| SCHEMBL23343726 | 0.84 | ACHE (0.48) | KIF11ALDH1A1CYP3A4ACHECA1 | |
| SCHEMBL2060637 | 0.84 | ALDH1A1 (0.52) | KIF11ALDH1A1CYP3A4ACHECA1 | |
| Hydrochloric Acid SCHEMBL30324798 | 0.82 | ALDH1A1 (0.50) | KIF11ALDH1A1CYP3A4ACHECA1 | |
| Hydrochloric Acid SCHEMBL29240545 | 0.82 | ALDH1A1 (0.50) | KIF11ALDH1A1CYP3A4ACHECA1 | |
| SCHEMBL2636367 | 0.81 | ACHE (0.50) | KIF11ALDH1A1CYP3A4ACHECA1 | |
| SCHEMBL7884887 | 0.81 | ALDH1A1 (0.48) | KIF11ALDH1A1CYP3A4ACHECA1 | |
| SCHEMBL8408204 | 0.79 | ACHE (0.52) | KIF11ALDH1A1CYP3A4ACHECA1 | |
| SCHEMBL146154 | 0.79 | ACHE (0.52) | KIF11ALDH1A1CYP3A4ACHECA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2074120-A1 | TROPANE COMPOUNDS | Exelixis, Inc. (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2009055077-A1 | TROPANE COMPOUNDS | EXELIXIS, INC. (US) | 2009-04-30 | — | — | WO | disclosed |
| WO-2007109615-A2 | β -LACTAMYL VASOPRESSIN V2 ANTAGONISTS | AZEVAN PHARMACEUTICALS, INC. (US) | 2007-09-27 | — | — | WO | disclosed |