Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL606619 | 0.79 | ALDH1A1 (0.64) | TSHRALDH1A1TP53HMGCRCHRM1 | |
| SCHEMBL10453248 | 0.79 | ALDH1A1 (0.64) | TSHRALDH1A1TP53HMGCRCHRM1 | |
| SCHEMBL10472538 | 0.79 | ALDH1A1 (0.64) | TSHRALDH1A1TP53HMGCRCHRM1 | |
| SCHEMBL2219370 | 0.76 | — | — | |
| SCHEMBL2102481 | 0.73 | TSHR (0.56) | TSHRALDH1A1TP53HMGCRCHRM1 | |
| SCHEMBL1953738 | 0.73 | TSHR (0.56) | TSHRALDH1A1TP53HMGCRCHRM1 | |
| SCHEMBL2031851 | 0.73 | TSHR (0.56) | TSHRALDH1A1THRBTP53HMGCR | |
| SCHEMBL1953736 | 0.73 | TSHR (0.56) | TSHRALDH1A1TP53HMGCRCHRM1 | |
| SCHEMBL29287476 | 0.73 | — | — | |
| SCHEMBL28116541 | 0.73 | TSHR (0.56) | TSHRALDH1A1TP53HMGCRCHRM1 |
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-117003642-A | Synthesis method of Ensitrelvir key intermediate | 上海璨谊生物科技有限公司 | 2023-11-07 | — | — | CN | claimed |
| CN-117003642-A | Synthesis method of Ensitrelvir key intermediate | 上海璨谊生物科技有限公司 | 2023-11-07 | — | — | CN | disclosed |