Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.43 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.43 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17286008 | 0.90 | SMN1; SMN2 (0.53) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL22878316 | 0.90 | SMN1; SMN2 (0.53) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL17281987 | 0.87 | SMN1; SMN2 (0.50) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL30020092 | 0.84 | SMN1; SMN2 (0.56) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL30121486 | 0.83 | SMN1; SMN2 (0.55) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL30981203 | 0.82 | SMN1; SMN2 (0.47) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| Hydrochloric Acid SCHEMBL29160928 | 0.82 | SMN1; SMN2 (0.54) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL27162527 | 0.82 | CYP2D6 (0.52) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL30981392 | 0.81 | SMN1; SMN2 (0.48) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL14748486 | 0.81 | ENPP2 (0.55) | SMN1; SMN2CYP2C19NPC1RAB9ACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015177326-A1 | 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-11-26 | — | — | WO | disclosed |