Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 3/20 | 0.48 |
| ▸ | NOS3 | P29474 | 2/20 | 0.48 |
| ▸ | NOS1 | P29475 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 14/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 14/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 14/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 13/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 13/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 13/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 12/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9053557 | 0.86 | ALDH1A1 (0.51) | NOS2NOS3NOS1CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL9054060 | 0.86 | SMN1; SMN2 (0.39) | NOS2NOS3NOS1CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL9053259 | 0.84 | MAPT (0.38) | NOS2NOS3NOS1CYP2D6CYP2C9 | |
| SCHEMBL8304277 | 0.79 | BRS3 (0.48) | NOS2NOS3NOS1CYP2D6CYP2C9 | |
| SCHEMBL9273321 | 0.73 | NOS2 (0.66) | NOS2NOS3NOS1CYP2D6CYP2C9 | |
| SCHEMBL8309586 | 0.72 | NOS3 (0.58) | NOS2NOS3NOS1CYP2D6CYP2C9 | |
| SCHEMBL11019238 | 0.72 | NOS2 (0.67) | NOS2NOS3NOS1CYP2D6CYP2C9 | |
| SCHEMBL15243645 | 0.72 | BRS3 (0.53) | NOS2NOS3NOS1CYP2D6CYP2C9 | |
| SCHEMBL9052094 | 0.72 | HSD17B10 (0.44) | CYP2C9CYP3A4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6475037 | 0.71 | CYP2E1 (0.58) | NOS2NOS3NOS1CYP2D6CYP2C9 |
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-1996000224-A1 | 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1996-01-04 | — | — | WO | disclosed |