Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15641308 | 0.89 | AKR1B1 (0.53) | AKR1B1AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL15641309 | 0.89 | AKR1B1 (0.53) | AKR1B1AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL599732 | 0.83 | AKR1B1 (0.47) | AKR1B1AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL598410 | 0.81 | AKR1C3 (0.38) | AKR1B1AKR1C3AKR1C2PTGS1MEN1 | |
| SCHEMBL15695559 | 0.79 | ALDH1A1 (0.46) | AKR1B1AKR1C3AKR1C2MEN1KMT2A | |
| SCHEMBL7821462 | 0.78 | AKR1B1 (0.48) | AKR1B1AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL2204495 | 0.76 | PTGS2 (0.56) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| SCHEMBL8120419 | 0.75 | AKR1B1 (0.51) | AKR1B1AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL448107 | 0.75 | AKR1B1 (0.51) | AKR1B1AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL15641295 | 0.75 | AKR1B1 (0.51) | AKR1B1AKR1C3AKR1C2PTGS2PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8115008-B2 | Method for producing optically active ester and method for producing optically active carboxylic acid | TOKYO UNIVERSITY OF SCIENCE EDUCATION FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) | 2012-02-14 | — | — | US | disclosed |