Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL28407345 | 0.84 | ALDH1A1 (0.38) | ALDH1A1TSHRHSD17B10TDP1GAA | |
| Acetone SCHEMBL28483025 | 0.82 | LMNA (0.43) | ALDH1A1TSHRTDP1GAALMNA | |
| SCHEMBL10934274 | 0.82 | ALDH1A1 (0.36) | ALDH1A1TSHRHSD17B10TDP1GAA | |
| Acetic Acid SCHEMBL28895099 | 0.79 | FFAR3 (0.47) | ALDH1A1TSHRTDP1GAALMNA | |
| SCHEMBL29101479 | 0.79 | ALDH1A1 (0.42) | ALDH1A1TSHRHSD17B10TDP1GAA | |
| Alcohol SCHEMBL1534284 | 0.76 | ALDH1A1 (0.71) | ALDH1A1TSHRHSD17B10TDP1LMNA | |
| Bicarbonate SCHEMBL5187608 | 0.76 | TSHR (0.39) | ALDH1A1TSHRTDP1LMNAKDM4E | |
| Ethylene Glycol SCHEMBL4913573 | 0.76 | ALDH1A1 (0.71) | ALDH1A1TSHRHSD17B10TDP1GAA | |
| SCHEMBL19621 | 0.74 | — | — | |
| SCHEMBL523 | 0.74 | — | — |
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-4498996-A | Use in augmenting or enhancing aroma of perfumed article with acyloxy alkanols and esters thereof | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1985-02-12 | — | — | US | disclosed |