Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 7/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11060290 | 0.80 | EPHX1 (0.44) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL2344663 | 0.78 | EPHX1 (0.43) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL8972557 | 0.78 | NPC1 (0.43) | SMN1; SMN2NPC1RAB9AHPGDEPHX1 | |
| SCHEMBL5503798 | 0.78 | PLA2G2C (0.43) | EPHX1ACHE | |
| SCHEMBL4727558 | 0.77 | EPHX1 (0.42) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL2345224 | 0.77 | EPHX1 (0.42) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL9103059 | 0.76 | EPHX1 (0.41) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL5199716 | 0.72 | EPHX1 (0.40) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL3273487 | 0.71 | HRH3 (0.42) | SMN1; SMN2NPC1RAB9AHPGDEPHX1 | |
| SCHEMBL27853277 | 0.71 | ALDH1A1 (0.47) | ALDH1A1HPGDMAPK1MAPTEPHX1 |
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 |