Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 2/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7098415 | 1.00 | JAK2 (0.37) | JAK2NTRK1RIPK1HDAC4PDE2A | |
| SCHEMBL7097829 | 0.96 | RIPK1 (0.36) | JAK2NTRK1RIPK1HDAC4PDE2A | |
| SCHEMBL7097553 | 0.96 | RIPK1 (0.36) | JAK2NTRK1RIPK1HDAC4PDE2A | |
| SCHEMBL7103719 | 0.92 | RIPK1 (0.38) | JAK2NTRK1RIPK1HDAC4 | |
| SCHEMBL7101655 | 0.92 | RIPK1 (0.38) | JAK2NTRK1RIPK1HDAC4 | |
| SCHEMBL7098836 | 0.89 | RIPK1 (0.39) | JAK2NTRK1RIPK1HDAC4 | |
| SCHEMBL7102433 | 0.81 | DRD2 (0.41) | — | |
| SCHEMBL7101916 | 0.81 | DRD2 (0.41) | — | |
| SCHEMBL7098422 | 0.80 | DRD3 (0.45) | — | |
| SCHEMBL7101832 | 0.80 | CHRNA3 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2003500402-A | — | — | 2003-01-07 | — | — | JP | claimed |
| EP-1178982-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2002-02-13 | — | — | EP | claimed |
| WO-2000071534-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2000-11-30 | — | — | WO | claimed |