Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 9/20 | 0.48 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7094609 | 0.90 | NTRK1 (0.43) | LRRK2NTRK1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7096045 | 0.79 | LRRK2 (0.43) | LRRK2DYRK1A | |
| SCHEMBL6998526 | 0.77 | PARP1 (0.47) | PARP1 | |
| SCHEMBL7095832 | 0.77 | AURKB (0.40) | — | |
| Hydrochloric Acid SCHEMBL7006248 | 0.76 | PARP1 (0.46) | PARP1 | |
| SCHEMBL7095268 | 0.75 | KDR (0.51) | LRRK2GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL7094580 | 0.74 | RAB9A (0.46) | LRRK2 | |
| SCHEMBL7092191 | 0.74 | CXCR4 (0.51) | NTRK1DYRK1A | |
| SCHEMBL7886097 | 0.74 | NOS2 (0.52) | LRRK2 | |
| SCHEMBL7097405 | 0.72 | KDM4E (0.41) | LRRK2NTRK1CLK1DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1268437-A1 | INHIBITORS OF PROTEIN KINASES | Knoll GmbH (DE) | 2003-01-02 | — | — | EP | disclosed |
| WO-2002030908-A1 | INHIBITORS OF PROTEIN KINASES | KNOLL GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |
| US-6297238-B1 | 3-ARYL PYRAZOLES WITH 4,5(3,4)-BICYCLIC RING FUSION WHICH ARE INHIBITORS OF PROTEIN KINASES PARTICULARLY TYROSINE KINASES AND SERINE/THREONINE KINASES | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-02 | — | — | US | disclosed |