Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.40 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.40 |
| ▸ | GALR3 | O60755 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4148560 | 0.80 | CTSD (0.50) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL13527465 | 0.77 | FAAH (0.46) | ALDH1A1CHRM5CHRM1CHRM3PGR | |
| SCHEMBL27409137 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL13289223 | 0.76 | ALDH1A1 (0.43) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL14503373 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TSHRGAALMNAEGFR | |
| SCHEMBL2979211 | 0.75 | TSHR (0.57) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| Acetic Acid Methyl Ester SCHEMBL16593614 | 0.73 | ALDH1A1 (0.62) | ALDH1A1TSHRCHRM5CHRM1CHRM3 | |
| SCHEMBL5727777 | 0.72 | — | — | |
| SCHEMBL840359 | 0.72 | — | — | |
| SCHEMBL14091417 | 0.71 | LMNA (0.39) | ALDH1A1TSHRCHRM5CHRM1CHRM3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116425742-A | Bicyclic heteroaryl compounds and uses thereof | 锐新医药公司 | 2023-07-14 | — | — | CN | disclosed |
| CN-114901662-A | Bicyclic heteroaryl compounds and uses thereof | 锐新医药公司 | 2022-08-12 | — | — | CN | disclosed |