Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | RARB | P10826 | 3/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9810270 | 1.00 | ALDH1A1 (0.50) | ALDH1A1HSP90AA1RARBKCNH2TSHR | |
| SCHEMBL9810524 | 1.00 | ALDH1A1 (0.50) | ALDH1A1HSP90AA1RARBKCNH2TSHR | |
| SCHEMBL9810435 | 0.99 | ALDH1A1 (0.48) | ALDH1A1HSP90AA1RARBKCNH2TSHR | |
| SCHEMBL9810605 | 0.97 | ALDH1A1 (0.52) | ALDH1A1HSP90AA1KCNH2TSHRNPC1 | |
| SCHEMBL9810312 | 0.97 | ALDH1A1 (0.52) | ALDH1A1HSP90AA1KCNH2TSHRNPC1 | |
| SCHEMBL9810466 | 0.97 | ALDH1A1 (0.52) | ALDH1A1HSP90AA1KCNH2TSHRNPC1 | |
| SCHEMBL9810242 | 0.97 | ALDH1A1 (0.47) | ALDH1A1HSP90AA1RARBKCNH2TSHR | |
| SCHEMBL9810498 | 0.96 | ALDH1A1 (0.51) | ALDH1A1HSP90AA1KCNH2TSHRNPC1 | |
| SCHEMBL9810463 | 0.94 | RARB (0.49) | ALDH1A1HSP90AA1RARBTSHRMEN1 | |
| SCHEMBL9810412 | 0.94 | RARB (0.49) | ALDH1A1HSP90AA1RARBTSHRMEN1 |
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-5068389-A | TERTIARY ALCOHOLS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |