Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR2 | O60603 | 8/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.43 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.41 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | PPID | Q08752 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28291242 | 0.88 | TLR2 (0.67) | TLR2SIRT2SIRT1ALDH1A1MEN1 | |
| SCHEMBL28292696 | 0.88 | TLR2 (0.67) | TLR2SIRT2SIRT1ALDH1A1MEN1 | |
| SCHEMBL28292702 | 0.85 | TLR2 (0.68) | TLR2SIRT2SIRT1ALDH1A1MEN1 | |
| SCHEMBL28292694 | 0.85 | TLR2 (0.55) | TLR2CYP3A4CYP2D6CYP2C19SIRT2 | |
| SCHEMBL28291266 | 0.84 | TLR2 (0.72) | TLR2CYP3A4CYP2D6CYP2C19SIRT2 | |
| Hydrochloric Acid SCHEMBL28291264 | 0.83 | TLR2 (0.70) | TLR2CYP3A4CYP2D6CYP2C19SIRT2 | |
| SCHEMBL19839633 | 0.74 | TLR2 (0.63) | TLR2SIRT2SIRT1ALDH1A1HPGD | |
| SCHEMBL19839636 | 0.74 | TLR2 (0.63) | TLR2SIRT2SIRT1ALDH1A1HPGD | |
| SCHEMBL19851534 | 0.74 | TLR2 (0.57) | TLR2MEN1KMT2A | |
| SCHEMBL24367522 | 0.72 | CTSS (0.63) | CYP3A4CYP2D6CYP2C19 |
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 | claimed |