Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 3/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CPB1 | P15086 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | BUB1 | O43683 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24687316 | 1.00 | MMP13 (0.43) | MMP13ACHEBCHELMNACPB1 | |
| SCHEMBL29200821 | 1.00 | MMP13 (0.43) | MMP13ACHEBCHELMNACPB1 | |
| SCHEMBL22980561 | 0.87 | BCHE (0.44) | MMP13ACHEBCHELMNA | |
| SCHEMBL29200798 | 0.87 | BCHE (0.44) | MMP13ACHEBCHELMNA | |
| SCHEMBL29200800 | 0.87 | BCHE (0.44) | MMP13ACHEBCHELMNA | |
| SCHEMBL4302079 | 0.84 | CTSD (0.45) | MMP13ALDH1A1TDP1 | |
| SCHEMBL2578395 | 0.84 | CTSD (0.45) | MMP13ALDH1A1TDP1 | |
| SCHEMBL17137424 | 0.76 | ACHE (0.44) | MMP13ACHEBCHELMNATSHR | |
| SCHEMBL21338548 | 0.76 | ACHE (0.44) | MMP13ACHEBCHELMNATSHR | |
| SCHEMBL22980628 | 0.76 | NAAA (0.59) | CPB1CYP2C9CYP2C19TSHRALDH1A1 |
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-116332905-A | (S) -N-phenyl-1- (pyridin-2-yl) pyrrolidine-2-carboxamide derivatives | 上海翊石医药科技有限公司 | 2023-06-27 | — | — | CN | disclosed |