Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDFT1 | P37268 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11482575 | 0.78 | FDFT1 (0.42) | FDFT1CRHBPCRHR2HSD11B1CES2 | |
| SCHEMBL27989707 | 0.71 | MAOA (0.40) | CYP3A4MAOAMAOB | |
| SCHEMBL8993551 | 0.65 | CRHBP (0.61) | FDFT1CRHBPCRHR2HSD11B1MAOB | |
| SCHEMBL28674313 | 0.63 | MAOA (0.50) | HSD11B1CES2CES1AKR1B1MAOA | |
| SCHEMBL10487154 | 0.61 | MAOA (0.39) | HSD11B1CES2CES1AKR1B1KEAP1 | |
| SCHEMBL15321958 | 0.61 | CYP4F2 (0.42) | HSD11B1CES2CES1AKR1B1KEAP1 | |
| SCHEMBL5665989 | 0.61 | MAOA (0.39) | HSD11B1CES2CES1AKR1B1KEAP1 | |
| SCHEMBL10029157 | 0.61 | ALDH1A1 (0.42) | HSD11B1CES2CES1AKR1B1CYP3A4 | |
| SCHEMBL9439377 | 0.61 | MAOA (0.48) | HSD11B1MAOAMAOBALDH1A1 | |
| SCHEMBL923461 | 0.61 | MAOA (0.48) | HSD11B1CES2CES1AKR1B1KEAP1 |
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-105801404-A | S-2-hydroxy-3-methoxy-3, 3-dibenzylpropionic acid and preparation method thereof | 辽宁诺康生物制药有限责任公司 | 2016-07-27 | — | — | CN | disclosed |