Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 20/20 | 0.66 |
| ▸ | JAK1 | P23458 | 13/20 | 0.66 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.51 |
| ▸ | JAK3 | P52333 | 11/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.50 |
| ▸ | TYK2 | P29597 | 5/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.49 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | RET | P07949 | 3/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.48 |
| ▸ | CIT | O14578 | 2/20 | 0.48 |
| ▸ | GAK | O14976 | 2/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.48 |
| ▸ | ULK1 | O75385 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18602281 | 0.84 | JAK2 (0.64) | JAK2JAK1HDAC6JAK3HDAC1 | |
| SCHEMBL100975 | 0.83 | JAK2 (0.55) | JAK2JAK1HDAC6JAK3HDAC1 | |
| SCHEMBL20908684 | 0.81 | JAK2 (0.69) | JAK2JAK1HDAC6JAK3HDAC1 | |
| SCHEMBL859886 | 0.80 | JAK2 (1.00) | JAK2JAK1HDAC6JAK3HDAC1 | |
| SCHEMBL848835 | 0.80 | JAK2 (1.00) | JAK2JAK1HDAC6JAK3HDAC1 | |
| SCHEMBL860196 | 0.80 | JAK2 (1.00) | JAK2JAK1HDAC6JAK3HDAC1 | |
| SCHEMBL13695723 | 0.79 | JAK2 (0.65) | JAK2JAK1HDAC6JAK3HDAC1 | |
| SCHEMBL13774665 | 0.78 | JAK2 (0.61) | JAK2JAK1HDAC6JAK3HDAC1 | |
| SCHEMBL847365 | 0.78 | JAK2 (0.80) | JAK2JAK1HDAC6JAK3HDAC1 | |
| SCHEMBL29780369 | 0.78 | JAK2 (0.80) | JAK2JAK1HDAC6JAK3HDAC1 |
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-3218379-A1 | SALTS OF (3R)-3-CYCLOPENTYL-3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PYRAZOL-1-YL]PROPANENITRILE | Zentiva K.S. (CZ) | 2017-09-20 | — | — | EP | disclosed |
| WO-2016074650-A1 | SALTS OF (3R)-3-CYCLOPENTYL-3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PYRAZOL-1-YL]PROPANENITRILE | ZENTIVA, K.S. (CZ) | 2016-05-19 | — | — | WO | disclosed |