Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.53 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2J2 | P51589 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31538620 | 0.85 | CYP3A4 (0.52) | PPARGCYP3A4CYP2C19EPHX2NTRK1 | |
| SCHEMBL17468449 | 0.85 | PPARG (0.54) | PPARGCYP3A4CYP2C19EPHX2NTRK1 | |
| SCHEMBL13702333 | 0.84 | NTRK1 (0.55) | PPARGCYP3A4CYP2C19EPHX2NTRK1 | |
| SCHEMBL22369026 | 0.82 | NTRK1 (0.56) | PPARGCYP3A4CYP2C19EPHX2NTRK1 | |
| SCHEMBL19531682 | 0.82 | TSHR (0.56) | PPARGCYP3A4CYP2C19EPHX2NTRK1 | |
| SCHEMBL15716447 | 0.82 | HDAC3 (0.52) | PPARGCYP3A4CYP2C19EPHX2NTRK1 | |
| SCHEMBL14670856 | 0.81 | HPGD (0.70) | HPGDHTTNPSR1MEN1NPC1 | |
| SCHEMBL31035996 | 0.81 | RECQL (0.46) | — | |
| SCHEMBL15682824 | 0.81 | EPHX2 (0.57) | PPARGCYP3A4CYP2C19EPHX2NTRK1 | |
| SCHEMBL13701818 | 0.80 | CYP3A4 (0.55) | PPARGCYP3A4CYP2C19EPHX2NTRK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118561801-A | Benzo [ d ] [1,3] dioxoles compound, preparation method and application thereof | 上海医药集团股份有限公司 | 2024-08-30 | — | — | CN | disclosed |
| WO-2016055028-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2016-04-14 | — | — | WO | disclosed |