Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28358490 | 0.81 | ALDH1A1 (0.45) | ALDH1A1POLBTSHRNPC1RAB9A | |
| SCHEMBL28358498 | 0.80 | ALDH1A1 (0.42) | ALDH1A1POLBTSHRDRD3NPC1 | |
| SCHEMBL28354824 | 0.79 | ALDH1A1 (0.42) | ALDH1A1POLBTSHRNPC1RAB9A | |
| SCHEMBL28355071 | 0.79 | ALDH1A1 (0.41) | ALDH1A1POLBTSHRDRD3NPC1 | |
| SCHEMBL28354704 | 0.79 | ALDH1A1 (0.41) | ALDH1A1POLBTSHRNPC1RAB9A | |
| SCHEMBL28883591 | 0.78 | CES1 (0.40) | ALDH1A1POLBTSHRNPC1RAB9A | |
| SCHEMBL28358641 | 0.75 | ALDH1A1 (0.38) | ALDH1A1POLBTSHRDRD2DRD3 | |
| SCHEMBL28355122 | 0.74 | ADRA2A (0.47) | ADRA2AADRA2BADRA2CALDH1A1POLB | |
| SCHEMBL13386604 | 0.69 | ALDH1A1 (0.55) | ALDH1A1TSHR | |
| SCHEMBL7885143 | 0.68 | ALDH1A1 (0.45) | ADRA2AADRA2BADRA2CALDH1A1POLB |
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-106749045-B | D-amino acid oxidase inhibitor and preparation method and application thereof | 上海交通大学 | 2020-02-14 | — | — | CN | disclosed |