Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Hydroperoxide SCHEMBL10332512 | 0.93 | ALDH1A1 (0.75) | ALDH1A1MAPK1TSHR | |
| Tert-Butyl Hydroperoxide SCHEMBL11769253 | 0.89 | ALDH1A1 (0.82) | ALDH1A1TSHR | |
| Tert-Butyl Hydroperoxide SCHEMBL28194433 | 0.81 | ALDH1A1 (0.69) | ALDH1A1MAPK1TSHR | |
| Tert-Butanol SCHEMBL6510107 | 0.80 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL20212 | 0.80 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL788774 | 0.80 | ALDH1A1 (1.00) | ALDH1A1MAPK1TSHR | |
| Tert-Butyl Hydroperoxide SCHEMBL8377296 | 0.80 | ALDH1A1 (1.00) | ALDH1A1MAPK1TSHR | |
| Tert-Butyl Hydroperoxide SCHEMBL29110204 | 0.79 | ALDH1A1 (0.64) | ALDH1A1MAPK1TSHR | |
| Tert-Butyl Hydroperoxide SCHEMBL9817131 | 0.79 | ALDH1A1 (0.64) | ALDH1A1MAPK1TSHR | |
| Tert-Butyl Hydroperoxide SCHEMBL11312019 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005093010-A2 | CONVERTING PROPYLENE IN AN OXYGENATE-CONTAMINATED PROPYLENE STREAM TO NON-POLYMERIZATION DERIVATIVE PRODUCTS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-10-06 | — | — | WO | disclosed |