Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.59 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | SI | P14410 | 2/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 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 | |
|---|---|---|---|---|
| Butanone SCHEMBL8446818 | 0.81 | ALDH1A1 (0.67) | ALDH1A1TSHRTDP1HSD17B10LMNA | |
| Acetic Acid Methyl Ester SCHEMBL27511456 | 0.81 | — | — | |
| SCHEMBL35598 | 0.80 | — | — | |
| Butanone SCHEMBL28255369 | 0.79 | ALDH1A1 (0.62) | ALDH1A1TSHRTDP1HSD17B10LMNA | |
| Propionic Acid SCHEMBL10974145 | 0.79 | ALDH1A1 (0.62) | ALDH1A1TSHRTDP1HSD17B10LMNA | |
| Acetic Acid Methyl Ester SCHEMBL2700263 | 0.78 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL27595137 | 0.78 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL10584448 | 0.77 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL3650 | 0.77 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL8322448 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TSHRTDP1HSD17B10LMNA |
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-5510524-A | CARBONYLATION OF AN ALKYL ALCOHOL OR DERIVATIVE USING CATALYST AND RHENIUM PROMOTER | BP CHEMICALS LIMITED (GB) | 1996-04-23 | — | — | US | disclosed |