Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.49 |
| ▸ | NISCH | Q9Y2I1 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | ADK | P55263 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28494454 | 0.74 | NISCH (0.62) | SMPD3NISCHCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL10585487 | 0.73 | ADRA2A (0.48) | CA2CA1PTGS1PTGS2NISCH | |
| SCHEMBL8727409 | 0.72 | SMPD3 (1.00) | SMPD3NISCHALDH1A1 | |
| SCHEMBL31429668 | 0.72 | CA2 (0.48) | SMPD3CA2NISCHMTORADK | |
| SCHEMBL803157 | 0.72 | CA2 (1.00) | CA2CA1PTGS1PTGS2NISCH | |
| SCHEMBL9456662 | 0.71 | NPC1 (0.53) | CA2CA1PTGS1PTGS2ALDH1A1 | |
| SCHEMBL9462933 | 0.70 | SMN1; SMN2 (0.49) | CA2CA1PTGS1PTGS2NISCH | |
| SCHEMBL9487670 | 0.70 | SMN1; SMN2 (0.49) | CA2CA1PTGS1PTGS2NISCH | |
| SCHEMBL28239386 | 0.70 | NISCH (0.64) | SMPD3NISCHCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12632136 | 0.69 | NISCH (0.63) | SMPD3NISCHCYP1A2CYP2C9CYP2C19 |
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-5234939-A | 3,5-di-tertiary-butyl-4-hydroxyphenyl imidazolyl methanones and related compounds as antiinflammatory agents | WARNER-LAMBERT COMPANY (US) | 1993-08-10 | — | — | US | disclosed |