Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | GALR3 | O60755 | 1/20 | 0.31 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL28522252 | 0.75 | ALDH1A1 (0.33) | ALDH1A1CA2RAB9ANPC1 | |
| Piperazine SCHEMBL28321352 | 0.74 | HTR7 (0.36) | ALDH1A1 | |
| SCHEMBL28199860 | 0.73 | CA2 (0.35) | ALDH1A1PKMCA2CYP11B1CYP11B2 | |
| SCHEMBL172523 | 0.71 | ALDH1A1 (0.41) | ALDH1A1PKMRAB9ANPC1LMNA | |
| SCHEMBL3201926 | 0.70 | GRIK1 (0.42) | SMN1; SMN2RAB9ANPC1NFKB1NFKB2 | |
| SCHEMBL27077150 | 0.70 | ALDH1A1 (0.40) | ALDH1A1PKMRAB9ANPC1LMNA | |
| SCHEMBL30081445 | 0.70 | ALDH1A1 (0.40) | ALDH1A1PKMRAB9ANPC1LMNA | |
| SCHEMBL28282827 | 0.68 | TRPA1 (0.35) | ALDH1A1PKMCYP11B1CYP11B2 | |
| SCHEMBL29506413 | 0.68 | NPC1 (0.31) | RAB9ANPC1 | |
| SCHEMBL31212397 | 0.66 | — | — |
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 |