Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | FLT3 | P36888 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18942465 | 0.85 | AKR1C3 (0.45) | AKR1C3AKR1C2PTGS2PTGS1LMNA | |
| SCHEMBL27711085 | 0.82 | LMNA (0.39) | PTGS2TSHRTYRPTGS1LMNA | |
| SCHEMBL4434983 | 0.79 | PARP1 (0.41) | TSHRTYRLMNA | |
| SCHEMBL9865420 | 0.79 | PTGS2 (0.41) | PTGS2TSHRLMNASMN1; SMN2 | |
| SCHEMBL15017386 | 0.79 | AKR1C3 (0.35) | AKR1C3AKR1C2PTGS2TSHRDAO | |
| SCHEMBL27605507 | 0.78 | SHBG (0.33) | TYR | |
| SCHEMBL84446 | 0.77 | LMNA (0.52) | AKR1C3AKR1C2PTGS2TSHRDAO | |
| SCHEMBL8272795 | 0.77 | AKR1C3 (0.40) | AKR1C3AKR1C2PTGS2TSHRDAO | |
| SCHEMBL10266238 | 0.77 | CYP3A4 (0.43) | TSHRTYRPTGS1LMNASMN1; SMN2 | |
| SCHEMBL2701208 | 0.77 | AKR1C3 (0.40) | AKR1C3AKR1C2PTGS2TYRPTGS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102822168-B | Method for producing isoxazoline derivatives | 先正达参股股份有限公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-102822168-A | Method for producing isoxazoline derivatives | SYNGENTA PARTICIPATIONS AG | 2012-12-12 | — | — | CN | disclosed |
| CN-101627007-A | Aminoamides as orexin antagonists | HOFFMANN LA ROCHE | 2010-01-13 | — | — | CN | disclosed |