Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.62 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 5/20 | 0.31 |
| ▸ | RAB9A | P51151 | 5/20 | 0.31 |
| ▸ | HTT | P42858 | 4/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.31 |
| ▸ | GALR3 | O60755 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | ATM | Q13315 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Dodecane SCHEMBL27839405 | 1.00 | ALDH1A1 (0.62) | ALDH1A1FKBP5TBXAS1TSHRTHRB | |
| Decane SCHEMBL27806237 | 1.00 | ALDH1A1 (0.62) | ALDH1A1FKBP5TBXAS1TSHRTHRB | |
| Undecane SCHEMBL27610099 | 1.00 | ALDH1A1 (0.62) | ALDH1A1FKBP5TBXAS1TSHRTHRB | |
| Octane SCHEMBL28143665 | 1.00 | ALDH1A1 (0.62) | ALDH1A1FKBP5TBXAS1TSHRTHRB | |
| Imidazole SCHEMBL27756359 | 1.00 | ALDH1A1 (0.62) | ALDH1A1FKBP5TBXAS1TSHRTHRB | |
| Heptane SCHEMBL28173922 | 1.00 | ALDH1A1 (0.62) | ALDH1A1FKBP5TBXAS1TSHRTHRB | |
| Tetradecane SCHEMBL28143659 | 1.00 | ALDH1A1 (0.62) | ALDH1A1FKBP5TBXAS1TSHRTHRB | |
| Hexadecane SCHEMBL28142957 | 1.00 | ALDH1A1 (0.62) | ALDH1A1FKBP5TBXAS1TSHRTHRB | |
| Hexane SCHEMBL27887486 | 0.98 | ALDH1A1 (0.65) | ALDH1A1FKBP5TBXAS1TSHRTHRB | |
| Hexane SCHEMBL29090517 | 0.95 | ALDH1A1 (0.62) | ALDH1A1FKBP5TBXAS1TSHRTHRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-110683991-A | Gemini ionic liquid surfactant, synthetic method thereof and oil displacement system | 东北石油大学 | 2020-01-14 | — | — | CN | disclosed |