Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20204106 | 0.92 | ALDH1A1 (0.50) | ALDH1A1CYP2D6GAAMGAMSI | |
| SCHEMBL165143 | 0.82 | ALDH1A1 (0.48) | ALDH1A1CYP2D6GAAMGAMSI | |
| SCHEMBL14865008 | 0.78 | ALDH1A1 (0.70) | ALDH1A1CYP2D6GAAMGAMSI | |
| SCHEMBL10021922 | 0.78 | ALDH1A1 (0.70) | ALDH1A1CYP2D6GAAMGAMSI | |
| SCHEMBL9596735 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CYP2D6GAAMGAMSI | |
| SCHEMBL11092006 | 0.77 | MGAM (0.50) | ALDH1A1CYP2D6GAAMGAMSI | |
| SCHEMBL4029374 | 0.75 | GAA (0.48) | ALDH1A1GAAMGAMSIMGAM2 | |
| SCHEMBL11848770 | 0.73 | ALDH1A1 (0.52) | ALDH1A1HPGDLMNAL3MBTL1SMN1; SMN2 | |
| SCHEMBL18113273 | 0.73 | GAA (0.50) | ALDH1A1CYP2D6GAAMGAMSI | |
| SCHEMBL18113081 | 0.73 | GAA (0.50) | ALDH1A1CYP2D6GAAMGAMSI |
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-9988348-B1 | Synthesis and antimicrobial use of a trithiocarbonate derivative | KING SAUD UNIVERSITY (SA) | 2018-06-05 | — | — | US | disclosed |