Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | BRS3 | P32247 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28354824 | 0.88 | ALDH1A1 (0.42) | ALDH1A1TSHRL3MBTL1NPC1RAB9A | |
| SCHEMBL28358498 | 0.81 | ALDH1A1 (0.42) | ALDH1A1TSHRL3MBTL1NPC1RAB9A | |
| SCHEMBL28355212 | 0.81 | ADRA2A (0.43) | ALDH1A1TSHRL3MBTL1NPC1RAB9A | |
| SCHEMBL28355071 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TSHRL3MBTL1NPC1RAB9A | |
| SCHEMBL28354704 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TSHRL3MBTL1NPC1RAB9A | |
| SCHEMBL28883591 | 0.79 | CES1 (0.40) | ALDH1A1TSHRL3MBTL1NPC1RAB9A | |
| SCHEMBL28354785 | 0.77 | L3MBTL1 (0.41) | ALDH1A1TSHRL3MBTL1NPC1RAB9A | |
| SCHEMBL28358641 | 0.76 | ALDH1A1 (0.38) | ALDH1A1TSHRL3MBTL1NPC1RAB9A | |
| SCHEMBL13386604 | 0.69 | ALDH1A1 (0.55) | ALDH1A1TSHRKCNA5 | |
| SCHEMBL7465147 | 0.69 | NOTUM (0.47) | ALDH1A1L3MBTL1POLBMEN1GAA |
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 |