Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ALPI | P09923 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | XIAP | P98170 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | CTSS | P25774 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL901994 | 1.00 | EPHX1 (0.48) | EPHX1SLC7A5CA2CA9ALPI | |
| SCHEMBL901961 | 1.00 | EPHX1 (0.48) | EPHX1SLC7A5CA2CA9ALPI | |
| SCHEMBL1912535 | 0.91 | CTSS (0.49) | CA2CA9KLK5CTSSCTSK | |
| Hydrochloric Acid SCHEMBL1912533 | 0.90 | SRR (0.49) | CA2CA9KLK5CTSSCTSK | |
| SCHEMBL6177689 | 0.84 | ATM (0.48) | SLC7A5CA2CA9ATMKLK5 | |
| SCHEMBL12889353 | 0.84 | SLC15A1 (0.52) | SLC7A5KLK5 | |
| SCHEMBL9196126 | 0.83 | ATM (0.47) | SLC7A5CA2CA9ATMKLK5 | |
| SCHEMBL6343323 | 0.82 | EPHX1 (0.53) | EPHX1SLC7A5ALPIPKMPTGS1 | |
| SCHEMBL27846893 | 0.82 | EPHX1 (0.53) | EPHX1SLC7A5ALPIPKMPTGS1 | |
| SCHEMBL2632623 | 0.82 | EPHX1 (0.53) | EPHX1SLC7A5ALPIPKMPTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8003806-B2 | Integrin antagonists useful as anticancer agents | OSI Pharmaceuticals, LLC (US) | 2011-08-23 | — | — | US | disclosed |