Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Ethane SCHEMBL3278228 | 0.89 | — | — | |
| Water SCHEMBL21525772 | 0.89 | — | — | |
| SCHEMBL10422 | 0.89 | — | — | |
| Water SCHEMBL27627574 | 0.89 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1 | |
| SCHEMBL20472689 | 0.89 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1 | |
| Acetic Acid SCHEMBL7522301 | 0.86 | TDP1 (0.45) | ALDH1A1TSHRTDP1 | |
| SCHEMBL27795848 | 0.86 | TDP1 (0.45) | ALDH1A1TSHRTDP1 | |
| Acetone SCHEMBL27856457 | 0.86 | TDP1 (0.45) | ALDH1A1TSHRTDP1 | |
| Methylamine SCHEMBL27506298 | 0.86 | — | — | |
| Acetonitrile SCHEMBL28341300 | 0.86 | ALDH1A1 (0.43) | ALDH1A1TSHRTDP1 |
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-5939424-A | ANTILIPEMIC AGENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-08-17 | — | — | US | disclosed |