Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.43 |
| ▸ | CDC7 | O00311 | 3/20 | 0.41 |
| ▸ | DBF4 | Q9UBU7 | 3/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8960651 | 0.87 | CDC7 (0.47) | CYP1A2ALDH1A1CYP2D6CYP2C19MAPT | |
| SCHEMBL7852125 | 0.84 | ALDH1A1 (0.50) | ALDH1A1MAPTKDM4EGAAPTGS2 | |
| SCHEMBL9768642 | 0.79 | ALDH1A1 (0.62) | CYP1A2ALDH1A1CYP2D6CYP2C19MAPT | |
| Hydrochloric Acid SCHEMBL30774640 | 0.75 | ALDH1A1 (0.63) | CYP1A2ALDH1A1CYP2D6CYP2C19MAPT | |
| SCHEMBL7958280 | 0.74 | IDO1 (0.57) | ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL21670773 | 0.71 | PTGS2 (0.56) | CYP1A2ALDH1A1CYP2D6CYP2C19MAPT | |
| SCHEMBL11456658 | 0.71 | CDC7 (0.67) | CYP1A2ALDH1A1CYP2D6CYP2C19MAPT | |
| SCHEMBL25028196 | 0.71 | BCHE (0.36) | — | |
| SCHEMBL9958269 | 0.70 | ALDH1A1 (0.51) | CYP1A2ALDH1A1CYP2D6CYP2C19MAPT | |
| SCHEMBL12245630 | 0.70 | ALOX5 (0.69) | CYP1A2ALDH1A1CYP2D6CYP2C19MAPT |
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-0560136-B1 | Neuroprotective drug | KANEBO LTD (JP) | 1996-01-24 | — | — | EP | disclosed |
| US-5399571-A | Antihypoxic agents, brain disorders | KANEBO, LTD. (JP) | 1995-03-21 | — | — | US | disclosed |
| EP-0560136-A1 | Neuroprotective drug | KANEBO, LTD. (JP) | 1993-09-15 | — | — | EP | disclosed |