Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | 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 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL1156282 | 0.98 | ALDH1A1 (0.54) | ALDH1A1CA2CHRM5CHRM1CHRM3 | |
| Hydrochloric Acid SCHEMBL6985786 | 0.96 | ALDH1A1 (0.52) | ALDH1A1CA2CHRM5CHRM1CHRM3 | |
| SCHEMBL10172837 | 0.91 | ALDH1A1 (0.52) | ALDH1A1CA2CHRM5CHRM1CHRM3 | |
| SCHEMBL14615761 | 0.89 | ALDH1A1 (0.50) | ALDH1A1CA2CHRM5CHRM1CHRM3 | |
| SCHEMBL11394476 | 0.89 | ALDH1A1 (0.50) | ALDH1A1CA2CHRM5CHRM1CHRM3 | |
| SCHEMBL11397955 | 0.89 | ALDH1A1 (0.50) | ALDH1A1CA2CHRM5CHRM1CHRM3 | |
| SCHEMBL14052549 | 0.86 | ALDH1A1 (0.44) | ALDH1A1CA2CHRM5CHRM1CHRM3 | |
| SCHEMBL47547 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CA2CHRM5CHRM1CHRM3 | |
| SCHEMBL11643592 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CA2CHRM5CHRM1CHRM3 | |
| SCHEMBL219271 | 0.80 | TSHR (0.55) | ALDH1A1CA2TSHRAPP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116854681-A | Hormone receptor modulators for the treatment of metabolic conditions and disorders | 阿德利克斯股份有限公司 | 2023-10-10 | — | — | CN | disclosed |
| CN-110177783-B | Hormone receptor modulators for the treatment of metabolic conditions and disorders | 阿德利克斯股份有限公司 | 2023-06-06 | — | — | CN | disclosed |
| US-4315014-A | Antibacterial amide compounds and pharmaceutical composition containing the same | WARNER-LAMBERT COMPANY (US) | 1982-02-09 | — | — | US | disclosed |