Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 10/20 | 0.56 |
| ▸ | NOS3 | P29474 | 1/20 | 0.56 |
| ▸ | BACE1 | P56817 | 1/20 | 0.52 |
| ▸ | NOS2 | P35228 | 2/20 | 0.50 |
| ▸ | NCF1 | P14598 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9925939 | 0.86 | BACE1 (0.58) | NOS1NOS3BACE1NOS2NCF1 | |
| SCHEMBL22511690 | 0.82 | NOS1 (0.65) | NOS1NOS3BACE1NOS2NCF1 | |
| SCHEMBL19405238 | 0.80 | NOS1 (0.48) | NOS1NOS3BACE1NOS2NCF1 | |
| SCHEMBL12891556 | 0.80 | CYP1A2 (0.45) | NOS1NOS3 | |
| SCHEMBL20475545 | 0.80 | BACE1 (0.52) | NOS1NOS3BACE1NOS2NCF1 | |
| SCHEMBL24254206 | 0.79 | NOS1 (0.50) | NOS1NOS3BACE1NOS2 | |
| SCHEMBL22521588 | 0.79 | NOS1 (0.50) | NOS1BACE1NOS2 | |
| SCHEMBL14439066 | 0.79 | CYP1A2 (0.52) | NOS1NOS3NOS2 | |
| SCHEMBL2756576 | 0.78 | CYP1A2 (0.47) | NOS1NOS3NOS2 | |
| SCHEMBL12044582 | 0.78 | CYP1A2 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003013523-A1 | SH3 PROTEIN DOMAINS AND THEIR LIGANDS | ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) | 2003-02-20 | — | — | WO | claimed |
| WO-2003013523-A1 | SH3 PROTEIN DOMAINS AND THEIR LIGANDS | ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) | 2003-02-20 | — | — | WO | disclosed |