Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MGLL | Q99685 | 6/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL28529224 | 0.87 | ALDH1A1 (0.73) | ALDH1A1MGLL | |
| Benzene SCHEMBL28134170 | 0.87 | ALDH1A1 (0.89) | ALDH1A1TSHRMGLLCYP3A4CYP2D6 | |
| Benzene SCHEMBL7777595 | 0.87 | ALDH1A1 (0.89) | ALDH1A1TSHRMGLLCYP3A4CYP2D6 | |
| Phenol SCHEMBL727251 | 0.86 | ALDH1A1 (0.71) | ALDH1A1TSHRMGLLCYP3A4CYP2D6 | |
| Toluene SCHEMBL8175017 | 0.86 | ALDH1A1 (0.71) | ALDH1A1MGLL | |
| O-Xylene SCHEMBL27077638 | 0.86 | ALDH1A1 (0.76) | ALDH1A1TSHRMGLLCYP3A4CYP2D6 | |
| SCHEMBL245013 | 0.85 | ALDH1A1 (0.53) | ALDH1A1TSHRMGLLCYP3A4CYP2D6 | |
| Phenol SCHEMBL29076704 | 0.85 | ALDH1A1 (0.69) | ALDH1A1TSHRMGLLCYP3A4CYP2D6 | |
| SCHEMBL7039423 | 0.85 | ALDH1A1 (0.69) | ALDH1A1MGLL | |
| Benzophenone SCHEMBL11799146 | 0.85 | ALDH1A1 (0.69) | ALDH1A1MGLL |
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-4480059-A | A EPOXIDE, HALONIUM ACTIVATOR, COPPER CARBOXYLATE COCATALYST AND POLYHYDRIC ALCOHOL | GENERAL ELECTRIC COMPANY (US) | 1984-10-30 | — | — | US | disclosed |