Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MIF | P14174 | 5/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL31103576 | 0.84 | CHRM1 (0.54) | CHRM1MIF | |
| SCHEMBL28062125 | 0.84 | CHRM1 (0.54) | CHRM1ALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL6783767 | 0.76 | CHRM1 (0.51) | CHRM1CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL28062102 | 0.72 | CHRM1 (0.52) | CHRM1CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL13170185 | 0.71 | CHRM1 (0.53) | CHRM1 | |
| SCHEMBL6779518 | 0.70 | CHRM1 (1.00) | CHRM1 | |
| SCHEMBL19873011 | 0.70 | MIF (0.57) | CYP1A2CYP2D6CYP3A4CYP2C19MIF | |
| SCHEMBL12294023 | 0.67 | MIF (0.70) | MIFNPC1RAB9A | |
| SCHEMBL3981656 | 0.67 | CYP1A2 (0.68) | CYP1A2CYP2D6CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL21066132 | 0.66 | POLB (0.56) | CYP1A2CYP2D6CYP3A4CYP2C19MIF |
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 |
|---|---|---|---|---|---|---|---|
| CN-105498735-A | Preparation of p-tolyl/4-chlorophenyl isocyanate-modified cationic cyclodextrin chiral resolution material through click chemistry and application of chiral resolution material | UNIV TIANJIN | 2016-04-20 | — | — | CN | disclosed |