Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.73 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL5244965 | 1.00 | ALDH1A1 (0.73) | ALDH1A1TTRTSHRPDK1PDK2 | |
| Tetrahydrofuran SCHEMBL18167417 | 1.00 | ALDH1A1 (0.73) | ALDH1A1TTRTSHRPDK1PDK2 | |
| Tetrahydrofuran SCHEMBL3181441 | 1.00 | ALDH1A1 (0.73) | ALDH1A1TTRTSHRPDK1PDK2 | |
| Tetrahydrofuran SCHEMBL49157 | 1.00 | — | — | |
| Methyl Alcohol SCHEMBL1534171 | 0.96 | ALDH1A1 (0.67) | ALDH1A1TTRTSHR | |
| Methyl Alcohol SCHEMBL9304289 | 0.96 | — | — | |
| Tetrahydrofuran SCHEMBL1615823 | 0.96 | — | — | |
| Tetrahydrofuran SCHEMBL11075183 | 0.96 | — | — | |
| Dioxane SCHEMBL28216951 | 0.96 | ALDH1A1 (0.67) | ALDH1A1TTRTSHRSMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL245570 | 0.96 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2247579-B1 | SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNOMODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS | Bayer Pharma AG (DE) | 2012-04-18 | — | — | EP | disclosed |
| EP-2247579-A1 | SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNOMODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009089851-A1 | SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNOMODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-07-23 | — | — | WO | disclosed |