Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21622907 | 1.00 | ALDH1A1 (0.42) | ALDH1A1TRPA1MAPTLMNAPOLB | |
| Ether SCHEMBL28986846 | 0.88 | ALDH1A1 (0.40) | ALDH1A1MAPTLMNAPOLBMEN1 | |
| SCHEMBL29042855 | 0.79 | TRPA1 (0.55) | ALDH1A1TRPA1MAPTLMNAMEN1 | |
| SCHEMBL8604093 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TRPA1MAPTLMNAPOLB | |
| SCHEMBL19303185 | 0.78 | ALDH1A1 (0.37) | ALDH1A1TRPA1MAPTLMNAPOLB | |
| SCHEMBL24832675 | 0.78 | ERN1 (0.39) | ALDH1A1TRPA1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL16955594 | 0.77 | ALDH1A1 (0.46) | ALDH1A1TRPA1MAPTLMNAPOLB | |
| SCHEMBL25891673 | 0.76 | ALDH1A1 (0.34) | ALDH1A1TRPA1MAPTLMNAPOLB | |
| SCHEMBL21623040 | 0.74 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL23633041 | 0.74 | ALDH1A1 (0.32) | 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-111886219-B | Immunosuppressant, preparation method and pharmaceutical application thereof | 上海和誉生物医药科技有限公司 | 2023-04-25 | — | — | CN | disclosed |