Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | STING1 | Q86WV6 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL28041375 | 1.00 | AKR1C3 (0.46) | AKR1C3AKR1C2AKR1C1PTGS1LDHA | |
| SCHEMBL31688947 | 0.80 | AKR1C3 (0.60) | AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1 | |
| SCHEMBL25242321 | 0.80 | AKR1C3 (0.46) | AKR1C3AKR1C2AKR1C1PTGS1LDHA | |
| SCHEMBL510198 | 0.80 | AKR1C3 (0.46) | AKR1C3AKR1C2AKR1C1PTGS1GAA | |
| SCHEMBL510313 | 0.79 | ALDH1A1 (0.51) | AKR1C3AKR1C2AKR1C1PTGS1TSHR | |
| SCHEMBL15804442 | 0.79 | AKR1C3 (0.54) | AKR1C3AKR1C2AKR1C1PTGS1LDHA | |
| SCHEMBL29889833 | 0.79 | POLB (0.53) | AKR1C3AKR1C2AKR1C1PTGS1TSHR | |
| SCHEMBL1999919 | 0.79 | POLB (0.53) | AKR1C3AKR1C2AKR1C1PTGS1TSHR | |
| SCHEMBL3828059 | 0.77 | AKR1C3 (0.65) | AKR1C3AKR1C2AKR1C1PTGS1LDHA | |
| SCHEMBL508994 | 0.77 | PPARG (0.44) | AKR1C3AKR1C2AKR1C1PTGS1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105198796-B | The method of one kind synthesis carboxylic acid of S 1 [(S) 2 (3,4,5 2,4,5-trimethoxyphenyl) bytyry] piperidines 2 | 上海晋鲁医药科技有限公司 | 2017-10-03 | — | — | CN | claimed |
| CN-105198796-A | Method for synthesizing S-1-[(S)-2-(3,4,5-trimethoxyphenyl) butyryl group] piperidine-2-carboxylic acid | SHANGHAI TBBMED CO LTD | 2015-12-30 | — | — | CN | claimed |
| CN-105198796-B | The method of one kind synthesis carboxylic acid of S 1 [(S) 2 (3,4,5 2,4,5-trimethoxyphenyl) bytyry] piperidines 2 | 上海晋鲁医药科技有限公司 | 2017-10-03 | — | — | CN | disclosed |
| CN-105198796-A | Method for synthesizing S-1-[(S)-2-(3,4,5-trimethoxyphenyl) butyryl group] piperidine-2-carboxylic acid | SHANGHAI TBBMED CO LTD | 2015-12-30 | — | — | CN | disclosed |