Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL172523 | 0.74 | ALDH1A1 (0.41) | ALDH1A1NPC1RAB9AGLACNR1 | |
| SCHEMBL3201926 | 0.73 | GRIK1 (0.42) | NPC1RAB9APTGS1PTGS2CES2 | |
| SCHEMBL30081445 | 0.72 | ALDH1A1 (0.40) | ALDH1A1NPC1RAB9AGLACNR1 | |
| SCHEMBL19454388 | 0.72 | MGLL (0.39) | ALDH1A1RAB9A | |
| SCHEMBL27077150 | 0.72 | ALDH1A1 (0.40) | ALDH1A1NPC1RAB9AGLACNR1 | |
| SCHEMBL29506413 | 0.70 | NPC1 (0.31) | NPC1RAB9APTGS1PTGS2 | |
| SCHEMBL31212397 | 0.68 | — | — | |
| SCHEMBL2750984 | 0.68 | ALDH1A1 (0.34) | ALDH1A1NPC1RAB9APTGS1PTGS2 | |
| SCHEMBL4565600 | 0.68 | ACKR3 (0.40) | ALDH1A1NPC1RAB9AGLA | |
| SCHEMBL6342110 | 0.67 | CYP3A4 (0.45) | ALDH1A1 |
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-108026094-B | Substituted 4-azaindoles and their use as modulators of the GLUN2B receptor | 詹森药业有限公司 | 2021-02-09 | — | — | CN | disclosed |