Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28002259 | 0.82 | DPP4 (0.39) | ALDH1A1CYP3A4TDP1SMN1; SMN2TSHR | |
| SCHEMBL10492689 | 0.80 | TYR (0.49) | ALDH1A1CYP3A4TDP1SMN1; SMN2TSHR | |
| SCHEMBL21380569 | 0.79 | TSHR (0.40) | ALDH1A1CYP3A4TDP1SMN1; SMN2TSHR | |
| Isopropylbenzene SCHEMBL28478258 | 0.79 | ALDH1A1 (0.38) | ALDH1A1CYP3A4TDP1SMN1; SMN2TSHR | |
| SCHEMBL21380576 | 0.79 | MAOA (0.41) | ALDH1A1CYP3A4TDP1TSHRCASP1 | |
| SCHEMBL10492816 | 0.79 | CYP3A4 (0.40) | ALDH1A1CYP3A4TDP1SMN1; SMN2TSHR | |
| SCHEMBL30589669 | 0.78 | CYP3A4 (0.43) | ALDH1A1CYP3A4TDP1SMN1; SMN2TSHR | |
| SCHEMBL4845351 | 0.78 | CYP3A4 (0.43) | ALDH1A1CYP3A4TDP1SMN1; SMN2TSHR | |
| SCHEMBL6836032 | 0.77 | TYR (0.42) | ALDH1A1CYP3A4TDP1SMN1; SMN2TSHR | |
| SCHEMBL22051079 | 0.76 | TYR (0.44) | ALDH1A1CYP3A4TDP1SMN1; SMN2TSHR |
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-114105783-A | Anti-aging agent and preparation method thereof | 王兴路 | 2022-03-01 | — | — | CN | disclosed |
| CN-110591091-A | Main chain type benzoxazine containing daidzein group and preparation method thereof | 常州市宏发纵横新材料科技股份有限公司 | 2019-12-20 | — | — | CN | disclosed |