Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Propionaldehyde SCHEMBL17184318 | 0.92 | TDP1 (0.39) | ALDH1A1MAPK1TDP1TSHRLMNA | |
| SCHEMBL5499873 | 0.86 | — | — | |
| SCHEMBL1782596 | 0.86 | — | — | |
| SCHEMBL17184319 | 0.77 | PTPN1 (0.30) | — | |
| SCHEMBL17184320 | 0.77 | PTPN1 (0.30) | — | |
| Water SCHEMBL17181532 | 0.76 | — | — | |
| Butanal SCHEMBL17181558 | 0.76 | ALDH1A1 (0.46) | ALDH1A1TSHRLMNA | |
| Butanal SCHEMBL6477363 | 0.76 | ALDH1A1 (0.46) | ALDH1A1TSHRLMNA | |
| Butanal SCHEMBL11434329 | 0.75 | — | — | |
| SCHEMBL1782747 | 0.75 | TSHR (0.39) | TSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-20170291866-A1 | Production of Mixed Aldol Products from the Products of Hydroformylation Reactions | Texmark Chemicals, Inc. (US) | 2017-10-12 | — | — | US | disclosed |
| US-9688599-B2 | Production of mixed aldol products from the products of hydroformylation reactions | Texmark Chemicals, Inc. (US) | 2017-06-27 | — | — | US | disclosed |
| US-20150299081-A1 | Production of Mixed Aldol Products from the Products of Hydroformylation Reactions | Texmark Chemicals, Inc. (US) | 2015-10-22 | — | — | US | disclosed |