Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11410395 | 0.94 | DPP4 (0.36) | DPP4DPP8DPP9CHRM2CHRM1 | |
| SCHEMBL12476221 | 0.82 | CHRM2 (0.42) | CHRM2CHRM1CHRM4CHRM3CHRM5 | |
| SCHEMBL177205 | 0.82 | — | — | |
| SCHEMBL21872695 | 0.81 | CHRM2 (0.42) | DPP4DPP8DPP9CHRM2CHRM1 | |
| SCHEMBL10987802 | 0.80 | GAA (0.38) | DPP4DPP8DPP9 | |
| Ammonia Solution, Strong SCHEMBL28770241 | 0.79 | — | — | |
| SCHEMBL28780475 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28064630 | 0.79 | — | — | |
| SCHEMBL27563919 | 0.79 | — | — | |
| SCHEMBL28536630 | 0.79 | ATM (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0172360-B1 | CYCLOHEXANECARBONITRILES AND THEIR USE AS COMPONENTS FOR LIQUID CRYSTALS | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1988-11-09 | — | — | EP | disclosed |
| EP-0172360-A2 | Cyclohexanecarbonitriles and their use as components for liquid crystals | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1986-02-26 | — | — | EP | disclosed |