Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | CTH | P32929 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CXCR5 | P32302 | 2/20 | 0.33 |
| ▸ | FGF23 | Q9GZV9 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22239425 | 0.85 | NOS3 (0.42) | NOS3NOS1NOS2CTHMETAP2 | |
| SCHEMBL5036795 | 0.82 | CYP2D6 (0.41) | NOS3NOS1NOS2CTHMETAP2 | |
| SCHEMBL24846577 | 0.81 | NOS3 (0.36) | NOS3NOS1NOS2CTHMETAP2 | |
| SCHEMBL23570007 | 0.80 | TLR8 (0.42) | NOS3NOS1NOS2TLR8CYP2D6 | |
| Hydrochloric Acid SCHEMBL9872395 | 0.78 | NOS3 (0.39) | NOS3NOS1NOS2CTHMETAP2 | |
| Hydrochloric Acid SCHEMBL7283316 | 0.78 | NOS3 (0.39) | NOS3NOS1NOS2CTHMETAP2 | |
| SCHEMBL19597465 | 0.76 | TLR8 (0.42) | NOS3NOS1NOS2TLR8CYP2D6 | |
| SCHEMBL8190911 | 0.76 | NOS3 (0.38) | NOS3NOS1NOS2CTHTLR8 | |
| SCHEMBL20091037 | 0.76 | NOS3 (0.45) | NOS3NOS1NOS2CTHMETAP2 | |
| SCHEMBL6765340 | 0.76 | NOS3 (0.45) | NOS3NOS1NOS2CTHMETAP2 |
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-2022104348-A1 | SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE | JANSSEN PHARMACEUTICA NV (BE) | 2022-05-19 | — | — | WO | disclosed |