Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.55 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.46 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | SGK1 | O00141 | 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 | |
|---|---|---|---|---|
| SCHEMBL599244 | 0.78 | AKR1C3 (0.56) | AKR1C3AKR1C2PTGS2CYP2C9CYP2C19 | |
| SCHEMBL28945664 | 0.75 | HDAC4 (0.49) | AKR1C3AKR1C2HDAC4HDAC2HDAC8 | |
| SCHEMBL4381574 | 0.74 | AKR1C3 (0.51) | AKR1C3AKR1C2PTGS2HDAC4HDAC2 | |
| SCHEMBL28472426 | 0.74 | AKR1C3 (0.58) | AKR1C3AKR1C2PTGS2CYP1A2CYP2C9 | |
| SCHEMBL2393839 | 0.73 | PTGS2 (0.56) | AKR1C3AKR1C2PTGS2CYP1A2CYP2C9 | |
| SCHEMBL8451518 | 0.73 | PTGS2 (0.71) | AKR1C3AKR1C2PTGS2CYP1A2TSHR | |
| SCHEMBL9890685 | 0.72 | PTGS2 (0.53) | AKR1C3AKR1C2PTGS2CYP1A2CYP2C9 | |
| SCHEMBL1072966 | 0.72 | PTGS2 (0.56) | AKR1C3AKR1C2PTGS2CYP1A2CYP2C9 | |
| SCHEMBL23070750 | 0.72 | AKR1C3 (0.74) | AKR1C3AKR1C2PTGS2CYP1A2CYP2C9 | |
| SCHEMBL8479916 | 0.72 | PTGS2 (0.58) | AKR1C3AKR1C2PTGS2CYP1A2CYP2C9 |
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 |