Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 4/20 | 0.41 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.39 |
| ▸ | NEK2 | P51955 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
| ▸ | HPD | P32754 | 1/20 | 0.38 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.38 |
| ▸ | KAT6A | Q92794 | 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 | |
|---|---|---|---|---|
| SCHEMBL417151 | 0.87 | BRAF (0.43) | AAK1NTRK1LTC4SHDAC3HDAC1 | |
| SCHEMBL414206 | 0.85 | AXL (0.59) | AAK1NTRK1AXLROCK2ROCK1 | |
| SCHEMBL410023 | 0.82 | NEK1 (0.56) | AAK1NTRK1AXLBRD4NEK1 | |
| SCHEMBL12836847 | 0.80 | AAK1 (0.58) | AAK1NTRK1AXLBRD4ROCK2 | |
| SCHEMBL859311 | 0.80 | KIT (0.50) | AAK1NTRK1AXLROCK2ROCK1 | |
| SCHEMBL415835 | 0.79 | NTRK1 (0.54) | AAK1NTRK1AXLNEK1NEK2 | |
| SCHEMBL411334 | 0.78 | AAK1 (0.48) | AAK1NTRK1AXLBRD4ROCK2 | |
| SCHEMBL411335 | 0.78 | AAK1 (0.48) | AAK1NTRK1AXLBRD4ROCK2 | |
| SCHEMBL14620817 | 0.78 | PIM1 (0.39) | AAK1NTRK1AXLBRD4HPD | |
| SCHEMBL415504 | 0.78 | TNIK (0.52) | AAK1AXLNEK1ABL1 |
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-2007002433-A1 | PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | PLEXXIKON, INC. (US) | 2007-01-04 | — | — | WO | disclosed |