Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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-Butanol SCHEMBL17409545 | 1.00 | — | — | |
| Tert-Butanol SCHEMBL183182 | 1.00 | — | — | |
| Tert-Butanol SCHEMBL6222911 | 1.00 | — | — | |
| Tert-Butanol SCHEMBL994481 | 1.00 | ALDH1A1 (0.42) | ALDH1A1THRBTSHRLMNACYP2C19 | |
| Tert-Butanol SCHEMBL3908572 | 1.00 | ALDH1A1 (0.42) | ALDH1A1THRBTSHRLMNACYP2C19 | |
| Tert-Butanol SCHEMBL28133384 | 0.94 | — | — | |
| Tert-Butanol SCHEMBL9785230 | 0.94 | — | — | |
| Tert-Butanol SCHEMBL28208487 | 0.94 | — | — | |
| Tert-Butanol SCHEMBL10611838 | 0.94 | — | — | |
| Tert-Butanol SCHEMBL27292163 | 0.94 | — | — |
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-0783555-A1 | POLY(PARAPHENYLENE VINYLENE) DERIVATIVES AND THEIR USE AS ELECTROLUMINESCENT MATERIALS | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-07-16 | — | — | EP | disclosed |
| WO-1996010617-A1 | POLY(PARAPHENYLENE VINYLENE) DERIVATIVES AND THEIR USE AS ELECTROLUMINESCENT MATERIALS | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-04-11 | — | — | WO | disclosed |