Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | SGK1 | O00141 | 1/20 | 0.41 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 4/20 | 0.40 |
| ▸ | PPARA | Q07869 | 4/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL599242 | 0.80 | AKR1C3 (0.50) | AKR1C3AKR1C2PPARGPPARAL3MBTL1 | |
| SCHEMBL10710434 | 0.79 | TDP1 (0.54) | AKR1C3AKR1C2PPARGPPARAL3MBTL1 | |
| SCHEMBL28720971 | 0.72 | PTGS2 (0.58) | L3MBTL1PTGS2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1046956 | 0.71 | L3MBTL1 (0.61) | L3MBTL1PTGS1PTGS2CYP2D6 | |
| SCHEMBL10029026 | 0.71 | L3MBTL1 (0.61) | L3MBTL1PTGS1PTGS2CYP2D6 | |
| SCHEMBL8451518 | 0.71 | PTGS2 (0.71) | AKR1C3AKR1C2SGK1PTGS1PTGS2 | |
| SCHEMBL599428 | 0.70 | AKR1C3 (0.55) | AKR1C3AKR1C2SLC6A2SLC6A4SLC6A3 | |
| Iodide SCHEMBL28946796 | 0.70 | L3MBTL1 (0.59) | L3MBTL1PTGS1PTGS2CYP2D6HIF1A | |
| SCHEMBL14263839 | 0.69 | L3MBTL1 (0.46) | L3MBTL1PTGS1PTGS2CYP2D6 | |
| SCHEMBL10708475 | 0.69 | ALDH1A1 (0.54) | SLC6A2SLC6A4SLC6A3L3MBTL1PTGS1 |
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 |