Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.44 |
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | LYN | P07948 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5700446 | 0.75 | PTGS2 (0.51) | RPS6KA3TNFSLC22A12FGFR1GSK3B | |
| SCHEMBL1205903 | 0.74 | CA12 (0.44) | RPS6KA3TNFCYP1A2CYP2E1CYP3A4 | |
| SCHEMBL21692148 | 0.72 | RPS6KA3 (0.59) | RPS6KA3TNFCYP1A2CYP2E1CYP3A4 | |
| SCHEMBL21692174 | 0.72 | RPS6KA3 (0.59) | RPS6KA3TNFCYP1A2CYP2E1CYP3A4 | |
| SCHEMBL8716812 | 0.72 | RPS6KA3 (0.65) | RPS6KA3TNFCYP1A2CYP2E1CYP3A4 | |
| SCHEMBL16404620 | 0.71 | RPS6KA3 (0.59) | RPS6KA3TNFCYP1A2CYP2E1CYP3A4 | |
| SCHEMBL12854062 | 0.69 | RPS6KA3 (0.56) | RPS6KA3TNFCYP1A2CYP2E1CYP3A4 | |
| SCHEMBL12854064 | 0.69 | RPS6KA3 (0.56) | RPS6KA3TNFCYP1A2CYP2E1CYP3A4 | |
| SCHEMBL13105294 | 0.67 | TNF (0.48) | RPS6KA3TNFCYP1A2CYP2E1CYP3A4 | |
| SCHEMBL3791281 | 0.67 | ALDH1A1 (0.54) | RPS6KA3TNFCYP1A2CYP2E1CYP3A4 |
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-116003312-A | Method for preparing meta-trifluoromethyl thio, difluoromethylthio or trifluoromethyl substituted pyridine compound | 南开大学 | 2023-04-25 | — | — | CN | disclosed |