Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2051147 | 0.84 | RIPK1 (0.53) | RIPK1MMP8CYP2D6CYP2C19TSHR | |
| SCHEMBL2044492 | 0.82 | HTT (0.49) | RIPK1MMP8CYP2D6CYP2C19TSHR | |
| SCHEMBL2044951 | 0.76 | RIPK1 (0.48) | RIPK1MMP8CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL2044949 | 0.76 | RIPK1 (0.48) | RIPK1MMP8CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL4396692 | 0.76 | SMN1; SMN2 (0.55) | CYP2C19TSHRCYP2C9CYP1A2ALDH1A1 | |
| SCHEMBL4396691 | 0.76 | SMN1; SMN2 (0.55) | CYP2C19TSHRCYP2C9CYP1A2ALDH1A1 | |
| SCHEMBL2746269 | 0.75 | RIPK1 (0.67) | RIPK1MMP8CYP2D6CYP2C19TSHR | |
| SCHEMBL2047140 | 0.74 | RIPK1 (0.44) | RIPK1MMP8CYP2D6CYP2C19TSHR | |
| SCHEMBL2047137 | 0.74 | RIPK1 (0.44) | RIPK1MMP8CYP2D6CYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL4398176 | 0.74 | SMN1; SMN2 (0.53) | CYP2D6CYP2C19TSHRCYP2C9CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018019527-A1 | POLYFUNCTIONAL COMPOUNDS, METHODS FOR PREPARING SAME AND USES THEREOF | UNIVERSITE DU MANS (FR) | 2018-02-01 | — | — | WO | disclosed |