Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.45 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.45 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.45 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.45 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4893531 | 0.98 | AKR1C3 (0.52) | AKR1C3GAAMAPTKEAP1CYP19A1 | |
| SCHEMBL11631691 | 0.87 | NR4A1 (0.58) | ALDH1A1L3MBTL1FFAR1SRD5A2LMNA | |
| SCHEMBL28423359 | 0.87 | AKR1C3 (0.59) | AKR1C3GAAMAPTCYP19A1ALDH1A1 | |
| SCHEMBL7598180 | 0.85 | HMGB1 (0.49) | AKR1C3GAAMAPTKEAP1NR4A2 | |
| SCHEMBL8268149 | 0.84 | SLC16A3 (0.49) | KEAP1ALDH1A1ELANEFFAR1SRD5A2 | |
| SCHEMBL9627316 | 0.84 | MAPT (0.50) | AKR1C3GAAMAPTCYP19A1ALDH1A1 | |
| SCHEMBL9177089 | 0.84 | AKR1C3 (0.48) | AKR1C3GAAMAPTCYP19A1ALDH1A1 | |
| SCHEMBL14259339 | 0.83 | KMT2A (0.56) | KEAP1ALDH1A1FFAR1SRD5A2LMNA | |
| SCHEMBL9715720 | 0.82 | KEAP1 (0.47) | GAAMAPTKEAP1NR4A2PTGER1 | |
| SCHEMBL6442157 | 0.82 | CES2 (0.50) | GAAKEAP1NR4A2PTGER1PTGER4 |
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-107759466-A | The method for splitting of (±) 2 (3 benzoyl) phenylpropionic acid | 浙江瑞博制药有限公司 | 2018-03-06 | — | — | CN | claimed |
| CN-107759466-A | The method for splitting of (±) 2 (3 benzoyl) phenylpropionic acid | 浙江瑞博制药有限公司 | 2018-03-06 | — | — | CN | disclosed |