Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 10/20 | 0.39 |
| ▸ | NOS3 | P29474 | 6/20 | 0.39 |
| ▸ | NOS1 | P29475 | 6/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13688177 | 0.76 | MAPT (0.50) | NOS2NOS3NOS1MAPTTDP1 | |
| SCHEMBL7563064 | 0.76 | MAPT (0.36) | NOS2NOS3NOS1MAPTTDP1 | |
| SCHEMBL10399435 | 0.76 | NOS2 (0.65) | NOS2NOS3NOS1 | |
| Bromide SCHEMBL7564429 | 0.74 | MAPT (0.35) | NOS2NOS3NOS1MAPTTDP1 | |
| SCHEMBL2088900 | 0.74 | NOS2 (0.38) | NOS2NOS3NOS1 | |
| SCHEMBL1317980 | 0.73 | — | — | |
| SCHEMBL9007840 | 0.69 | ALDH1A1 (0.47) | NOS2NOS3NOS1MAPTTDP1 | |
| SCHEMBL2879873 | 0.65 | CCR1 (0.33) | CCR1 | |
| SCHEMBL2879516 | 0.64 | HSP90AB1 (0.56) | MAPT | |
| SCHEMBL9637847 | 0.64 | KCNH2 (0.37) | NOS2NOS3CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5536724-A | Antiinflammatory and antineoplastic 5-deazaaminopterins and 5,10-dideazaaminopterins | SRI INTERNATIONAL (US) | 1996-07-16 | — | — | US | disclosed |