Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HMGCR | P04035 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28531521 | 1.00 | ATM (0.40) | ATMHCAR2PPARGHPGDTSHR | |
| SCHEMBL28532519 | 0.95 | HCAR2 (0.41) | ATMHCAR2PPARGHPGDTSHR | |
| SCHEMBL28531584 | 0.95 | HCAR2 (0.41) | ATMHCAR2PPARGHPGDTSHR | |
| SCHEMBL28525874 | 0.93 | HCAR2 (0.42) | ATMHCAR2PPARGTSHRHMGCR | |
| SCHEMBL29156588 | 0.93 | HCAR2 (0.42) | ATMHCAR2PPARGTSHRHMGCR | |
| SCHEMBL28523639 | 0.93 | HCAR2 (0.42) | ATMHCAR2PPARGTSHRHMGCR | |
| SCHEMBL28907550 | 0.93 | HCAR2 (0.42) | ATMHCAR2PPARGTSHRHMGCR | |
| SCHEMBL28531890 | 0.92 | HMGCR (0.40) | ATMHPGDTSHRHMGCRFAAH | |
| SCHEMBL28531520 | 0.92 | HMGCR (0.40) | ATMHPGDTSHRHMGCRFAAH | |
| SCHEMBL28524445 | 0.89 | PPARG (0.37) | HCAR2PPARGFAAHCNR1CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112441895-A | Dialkoxyl alkadienyne compound, preparation method thereof and preparation method of diene alkynal compound | 信越化学工业株式会社 | 2021-03-05 | — | — | CN | disclosed |