Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 7/20 | 0.50 |
| ▸ | NOS3 | P29474 | 6/20 | 0.50 |
| ▸ | CCR1 | P32246 | 3/20 | 0.46 |
| ▸ | CCR5 | P51681 | 3/20 | 0.46 |
| ▸ | CCR8 | P51685 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.35 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 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 | |
|---|---|---|---|---|
| SCHEMBL24391044 | 0.83 | NOS3 (0.41) | NOS2NOS3CCR1CCR5CCR8 | |
| SCHEMBL27564359 | 0.81 | NPC1 (0.46) | NOS2NOS3CYP2A6MEN1KMT2A | |
| SCHEMBL24391059 | 0.81 | NOS2 (0.45) | NOS2NOS3CCR1CCR5CCR8 | |
| SCHEMBL18426275 | 0.79 | SIRT3 (0.50) | NOS2NOS3KDM4EKMT2AABL1 | |
| SCHEMBL17173351 | 0.79 | KDM4E (0.52) | CCR1CCR5CCR8CYP2A6KDM4E | |
| SCHEMBL30374657 | 0.78 | — | — | |
| SCHEMBL580504 | 0.78 | — | — | |
| SCHEMBL28598901 | 0.78 | NOS2 (0.38) | NOS2NOS3CCR1CCR5CCR8 | |
| SCHEMBL18809327 | 0.78 | CCR1 (0.61) | NOS2NOS3CCR1CCR5CCR8 | |
| SCHEMBL7488 | 0.77 | — | — |
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-2004065305-A1 | NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE | UNIVERSITY OF DAYTON (US) | 2004-08-05 | — | — | WO | disclosed |