Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.61 |
| ▸ | MGAM | O43451 | 1/20 | 0.61 |
| ▸ | SI | P14410 | 1/20 | 0.61 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | PAM | P19021 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 6/20 | 0.39 |
| ▸ | PPARD | Q03181 | 6/20 | 0.39 |
| ▸ | PPARA | Q07869 | 6/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.39 |
| ▸ | TLR2 | O60603 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | FABP4 | P15090 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL2556421 | 0.95 | MGAM (0.61) | GAAMGAMSIMGAM2ALDH1A1 | |
| Heptane SCHEMBL695723 | 0.93 | GAA (0.58) | GAAMGAMSIMGAM2ALDH1A1 | |
| Butane SCHEMBL4659711 | 0.91 | GAA (0.67) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL15376 | 0.91 | — | — | |
| SCHEMBL30741390 | 0.91 | GAA (0.74) | GAAMGAMSIMGAM2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL356491 | 0.88 | GAA (0.70) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL1068040 | 0.88 | GAA (0.70) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL3196229 | 0.88 | GAA (0.70) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL13278763 | 0.88 | GAA (0.70) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL3201235 | 0.88 | GAA (0.70) | GAAMGAMSIMGAM2ALDH1A1 |
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-4325830-A | Three ring dioxane liquid crystalline compounds | TIMEX CORPORATION (US) | 1982-04-20 | — | — | US | disclosed |