Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | PLEC | Q15149 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19936608 | 0.87 | CYP3A4 (0.35) | CYP3A4TSHRRECQLIDO1KDM4E | |
| SCHEMBL22073753 | 0.77 | ALDH1A1 (0.38) | CYP3A4TSHRRECQLIDO1KDM4E | |
| SCHEMBL21317742 | 0.76 | STAT3 (0.42) | CYP3A4TSHRRECQLIDO1KDM4E | |
| SCHEMBL19936583 | 0.74 | ALDH1A1 (0.60) | KDM4EALDH1A1GAAMAPTTHRB | |
| SCHEMBL16976666 | 0.74 | KDM4E (0.56) | CYP3A4TSHRRECQLIDO1KDM4E | |
| SCHEMBL14402733 | 0.71 | CNR1 (0.38) | TSHRKDM4EALDH1A1GAAMAPT | |
| SCHEMBL19707177 | 0.71 | IDO1 (0.40) | CYP3A4TSHRRECQLIDO1KDM4E | |
| SCHEMBL26473856 | 0.70 | TRPA1 (0.39) | KDM4EALDH1A1GAAMAPTHTT | |
| SCHEMBL28201373 | 0.70 | ALDH1A1 (0.37) | CYP3A4TSHRRECQLIDO1KDM4E | |
| SCHEMBL23642619 | 0.70 | MAPT (0.50) | CYP3A4KDM4EALDH1A1MAPTHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2594555-B1 | HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR | ASKA PHARM CO LTD (JP) | 2018-03-07 | — | — | EP | disclosed |