Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 8/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27461128 | 0.85 | CYP1A2 (0.62) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL18397664 | 0.84 | CYP1A2 (0.57) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL20594751 | 0.84 | CTSS (0.57) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL28270782 | 0.83 | CTSS (0.59) | CTSKCTSSCTSLCTSB | |
| SCHEMBL29651462 | 0.83 | CTSS (0.59) | CTSKCTSSCTSLCTSB | |
| SCHEMBL28270781 | 0.83 | CTSS (0.59) | CTSKCTSSCTSLCTSB | |
| SCHEMBL1429799 | 0.83 | CTSK (0.61) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL2399357 | 0.83 | CTSK (0.61) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL1429918 | 0.83 | CTSK (0.61) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL8211606 | 0.83 | CYP1A2 (0.62) | CTSKCYP1A2CYP2C9CYP2C19HTT |
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-1006122-B1 | PHENETHYLAMINE DERIVATIVES | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2008-12-03 | — | — | EP | disclosed |
| US-6255285-B1 | GASTROINTESTINAL DISORDERS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2001-07-03 | — | — | US | disclosed |
| EP-1006122-A1 | PHENETHYLAMINE DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2000-06-07 | — | — | EP | disclosed |