Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.36 |
| ▸ | ACHE | P22303 | 3/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7400115 | 0.84 | ACHE (0.40) | ACHEPRKDC | |
| SCHEMBL7405459 | 0.78 | HDAC1 (0.34) | SIGMAR1ACHEPRKDC | |
| SCHEMBL7400677 | 0.77 | ROCK2 (0.35) | ACHE | |
| SCHEMBL7400973 | 0.77 | MAOB (0.40) | ACHE | |
| SCHEMBL7403592 | 0.76 | NQO1 (0.36) | ACHE | |
| SCHEMBL7405503 | 0.74 | FABP1 (0.44) | TP53POLB | |
| SCHEMBL7359563 | 0.73 | CYP2C9 (0.58) | ACHE | |
| SCHEMBL7354182 | 0.67 | NQO1 (0.42) | POLB | |
| SCHEMBL8868342 | 0.66 | NQO1 (0.49) | TP53POLB | |
| SCHEMBL7403259 | 0.65 | MEN1 (0.41) | — |
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-1995030670-A2 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-16 | — | — | WO | disclosed |