Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 4/20 | 0.31 |
| ▸ | ACACA | Q13085 | 4/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13005000 | 0.81 | CYP11B2 (0.43) | ABHD6MEN1KMT2AACACB | |
| SCHEMBL29637631 | 0.80 | PDE10A (0.33) | HRH3USP2ACACBACACAKCNH2 | |
| SCHEMBL29637634 | 0.80 | ACACB (0.34) | CYP2D6HRH3CYP2C19CYP3A4TSHR | |
| SCHEMBL29930648 | 0.76 | SPR (0.42) | CYP2D6HRH3CYP2C19CYP3A4CHRM2 | |
| SCHEMBL22499434 | 0.75 | SPR (0.43) | HRH3CYP2C19CHRM2TSHRCHRM3 | |
| SCHEMBL8316507 | 0.74 | HRH3 (0.50) | CYP2D6HRH3CYP2C19CYP3A4CHRM2 | |
| SCHEMBL29550671 | 0.74 | HRH3 (0.50) | CYP2D6HRH3CYP2C19CYP3A4CHRM2 | |
| SCHEMBL867784 | 0.71 | ABHD6 (0.58) | ABHD6GRM5KMT2AALDH1A1 | |
| SCHEMBL867848 | 0.71 | ABHD6 (0.48) | ABHD6GRM5ENPP2ALDH1A1 | |
| SCHEMBL27963690 | 0.71 | ABHD6 (0.48) | ABHD6GRM5MEN1KMT2AALDH1A1 |
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-114478585-A | Nitrogen-containing fused heterocyclic compound and preparation method and application thereof | 上海青煜医药科技有限公司 | 2022-05-13 | — | — | CN | disclosed |