Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17707535 | 0.98 | HTT (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19AKR1B1 | |
| SCHEMBL5068038 | 0.80 | NPC1 (0.61) | CYP3A4CYP2C9CYP2C19HTTLMNA | |
| SCHEMBL5798047 | 0.79 | AKR1B1 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19AKR1B1 | |
| Hydrochloric Acid SCHEMBL4797245 | 0.79 | NPC1 (0.59) | CYP3A4CYP2C9CYP2C19HTTLMNA | |
| Hydrochloric Acid SCHEMBL3658158 | 0.76 | ROCK2 (0.38) | HTTNPSR1P2RX7BACE1GAA | |
| Bromide SCHEMBL5552280 | 0.76 | ROCK2 (0.38) | HTTP2RX7BACE1GAAROCK2 | |
| Hydrochloric Acid SCHEMBL11691645 | 0.74 | — | — | |
| SCHEMBL2810297 | 0.74 | — | — | |
| SCHEMBL5065168 | 0.73 | HTR3E (0.51) | LMNAPLA2G1BMAPTATG4BNPC1 | |
| SCHEMBL5798053 | 0.72 | AKR1B1 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19AKR1B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2227457-A2 | CHIRAL 3-(BENZYLSULFINYL)-5,5-DIMETHYL-4,5-DIHYDROISOXAZOLE DERIVATIVES AND 5,5-DIMETHYL-3-Ý(1H-PYRAZOL-4-YLMETHYL)SULFINYL¨-4,5-DIHYDROISOXAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF SAME AS HERBICIDES AND PLANT GROWTH REGULATORS | Bayer CropScience AG (DE) | 2010-09-15 | — | — | EP | disclosed |
| WO-2009068171-A2 | CHIRAL 3-(BENZYLSULFINYL)-5,5-DIMETHYL-4,5-DIHYDROISOXAZOLE DERIVATIVES AND 5,5-DIMETHYL-3-[(1H-PYRAZOL-4-YLMETHYL)SULFINYL]-4,5-DIHYDROISOXAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF SAME AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2009-06-04 | — | — | WO | disclosed |