Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | LSS | P48449 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11809449 | 0.95 | CYP1A2 (0.39) | CHRNB2CHRNA7CHRNA4CYP1A2CHRM2 | |
| SCHEMBL6157129 | 0.89 | NOS3 (0.31) | — | |
| SCHEMBL11069203 | 0.86 | KMT2A (0.44) | CYP1A2LSSCHRM2CHRM1PKM | |
| SCHEMBL11107808 | 0.82 | MEN1 (0.31) | MEN1KMT2AHTT | |
| SCHEMBL11449531 | 0.81 | MEN1 (0.33) | MEN1KMT2AHTT | |
| SCHEMBL5684441 | 0.76 | PIK3CD (0.37) | PKMMEN1KMT2AHTT | |
| SCHEMBL6451857 | 0.74 | TLR4 (0.40) | — | |
| SCHEMBL10823638 | 0.72 | CYP1A2 (0.39) | CHRNB2CHRNA7CHRNA4CYP1A2LSS | |
| SCHEMBL11202118 | 0.71 | ESR2 (0.50) | CYP1A2CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL11190672 | 0.70 | ESR2 (0.49) | CYP1A2CHRM2CHRM4CHRM5CHRM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4462923-A | Disubstituted pyrimidines | HOFFMANN-LA ROCHE INC. (US) | 1984-07-31 | — | — | US | disclosed |
| US-4391731-A | Hydrogenated naphthalenes | HOFFMANN-LA ROCHE INC. (US) | 1983-07-05 | — | — | US | disclosed |
| EP-0047817-A2 | Hydrogenated naphthalines, their preparation and application, and mixtures containing such naphthalines | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-03-24 | — | — | EP | disclosed |