Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 3/20 | 0.47 |
| ▸ | JAK1 | P23458 | 3/20 | 0.47 |
| ▸ | TYK2 | P29597 | 2/20 | 0.47 |
| ▸ | JAK3 | P52333 | 2/20 | 0.47 |
| ▸ | LCK | P06239 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.41 |
| ▸ | BCL9 | O00512 | 2/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.40 |
| ▸ | IGF1R | P08069 | 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 | |
|---|---|---|---|---|
| SCHEMBL14647469 | 1.00 | JAK2 (0.47) | JAK2JAK1TYK2JAK3LCK | |
| SCHEMBL28938318 | 0.95 | SMN1; SMN2 (0.46) | JAK2JAK1TYK2JAK3GRIN2B | |
| SCHEMBL21050978 | 0.95 | SMN1; SMN2 (0.46) | JAK2JAK1TYK2JAK3GRIN2B | |
| SCHEMBL2323323 | 0.91 | OPRD1 (0.43) | JAK2JAK1TYK2JAK3GRIN2B | |
| SCHEMBL593236 | 0.90 | SMN1; SMN2 (0.50) | JAK2JAK1TYK2JAK3GRIN2B | |
| SCHEMBL30449894 | 0.88 | KMT2A (0.40) | JAK2JAK1TYK2JAK3LCK | |
| SCHEMBL2323403 | 0.85 | GRIN2B (0.43) | GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6 | |
| SCHEMBL2323399 | 0.85 | GRIN2B (0.43) | GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6 | |
| SCHEMBL14651431 | 0.84 | BTK (0.47) | — | |
| SCHEMBL15762428 | 0.84 | BTK (0.47) | — |
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-2013010380-A1 | BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-01-24 | — | — | WO | disclosed |