Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR2 | O60603 | 10/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.51 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.51 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.51 |
| ▸ | CPB1 | P15086 | 1/20 | 0.50 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28291264 | 0.99 | TLR2 (0.70) | TLR2CYP3A4CYP2D6CYP2C19SIRT2 | |
| SCHEMBL28292694 | 0.85 | TLR2 (0.55) | TLR2CYP3A4CYP2D6CYP2C19SIRT2 | |
| SCHEMBL19851639 | 0.85 | TLR2 (0.76) | TLR2SIRT2SIRT1SIRT3CPB1 | |
| Hydrochloric Acid SCHEMBL19839565 | 0.84 | TLR2 (0.74) | TLR2SIRT2SIRT1SIRT3CPB1 | |
| Hydrochloric Acid SCHEMBL19839568 | 0.84 | TLR2 (0.74) | TLR2SIRT2SIRT1SIRT3CPB1 | |
| SCHEMBL28292695 | 0.84 | TLR2 (0.51) | TLR2CYP3A4CYP2D6CYP2C19SIRT2 | |
| SCHEMBL19851740 | 0.84 | TLR2 (1.00) | TLR2SIRT2SIRT1SIRT3CPB1 | |
| SCHEMBL19851717 | 0.84 | TLR2 (1.00) | TLR2SIRT2SIRT1SIRT3CPB1 | |
| Hydrochloric Acid SCHEMBL19839644 | 0.83 | TLR2 (0.98) | TLR2SIRT2SIRT1SIRT3CPB1 | |
| Hydrochloric Acid SCHEMBL19839599 | 0.83 | TLR2 (0.98) | TLR2SIRT2SIRT1SIRT3CPB1 |
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-109715167-A | Lipid-substituted amino 1, 2-and 1, 3-diol compounds as modulators of TLR2 dimerization | 神经孔疗法股份有限公司 | 2019-05-03 | — | — | CN | disclosed |