Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.37 |
| ▸ | CTRC | Q99895 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | BCL2L1 | Q07817 | 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 | |
|---|---|---|---|---|
| SCHEMBL30531229 | 0.82 | CD274 (0.46) | CYP2A6CSNK2A1DPP4CTRCCYP1A2 | |
| SCHEMBL30531239 | 0.78 | NPBWR1 (0.39) | CYP2A6CSNK2A1ALDH1A1CD274LMNA | |
| SCHEMBL5885044 | 0.78 | BACE1 (0.44) | CYP2A6CSNK2A1DPP4CYP1A2ALDH1A1 | |
| SCHEMBL27718714 | 0.78 | FFAR1 (0.46) | CYP2A6CSNK2A1DPP4CYP1A2ALDH1A1 | |
| SCHEMBL7486019 | 0.77 | PTGS1 (0.49) | CLCN2TSHRLMNA | |
| SCHEMBL9016045 | 0.76 | KMT2A (0.34) | ALDH1A1TSHRKMT2A | |
| SCHEMBL28126300 | 0.75 | DPP4 (0.38) | CYP2A6CSNK2A1DPP4CTRCALDH1A1 | |
| SCHEMBL28792711 | 0.75 | MEN1 (0.42) | CYP2A6CSNK2A1DPP4CYP1A2ALDH1A1 | |
| SCHEMBL1768167 | 0.74 | PTGER1 (0.54) | CLCN2CYP1A2ALDH1A1HSD17B10 | |
| Ammonia Solution, Strong SCHEMBL6848152 | 0.73 | DPP4 (0.36) | CYP2A6CSNK2A1DPP4CTRCALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1209147-A1 | CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | TORAY INDUSTRIES, INC. (JP) | 2002-05-29 | — | — | EP | disclosed |