Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 7/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20683487 | 0.82 | CA1 (0.46) | EPHX1ACHESMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL1696818 | 0.82 | CA1 (0.46) | EPHX1ACHESMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL2344660 | 0.81 | EPHX1 (0.44) | EPHX1ACHESMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL6020265 | 0.80 | CTSS (0.51) | — | |
| SCHEMBL9006019 | 0.80 | EPHX1 (0.43) | EPHX1ACHESMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL4727557 | 0.80 | EPHX1 (0.43) | EPHX1ACHESMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL7453134 | 0.80 | EPHX1 (0.43) | EPHX1ACHESMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL2345217 | 0.80 | EPHX1 (0.43) | EPHX1ACHESMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL5199004 | 0.80 | EPHX1 (0.43) | EPHX1ACHESMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL5782797 | 0.80 | EPHX1 (0.43) | EPHX1ACHESMN1; SMN2ALDH1A1NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1814869-A2 | SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | The Institutes for Pharmaceutical Discovery, LLC (US) | 2007-08-08 | — | — | EP | disclosed |
| WO-2006055725-A2 | SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) | 2006-05-26 | — | — | WO | disclosed |