Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | FASN | P49327 | 6/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | IGF1R | P08069 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.34 |
| ▸ | ACACA | Q13085 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21361283 | 0.94 | CYP1A2 (0.41) | CYP1A2TSHRMEN1CYP2C9KMT2A | |
| SCHEMBL22908412 | 0.92 | P2RX7 (0.36) | P2RX7IRAK4FASNGRM5CNR2 | |
| SCHEMBL22908434 | 0.90 | IGF1R (0.39) | CYP1A2TSHRMEN1CYP2C9KMT2A | |
| SCHEMBL21361307 | 0.89 | CYP1A2 (0.38) | CYP1A2TSHRMEN1CYP2C9KMT2A | |
| SCHEMBL24324810 | 0.87 | ACACA (0.35) | CYP1A2TSHRMEN1CYP2C9KMT2A | |
| SCHEMBL21361292 | 0.85 | TSHR (0.40) | CYP1A2TSHRMEN1CYP2C9KMT2A | |
| SCHEMBL21361291 | 0.85 | FASN (0.37) | IRAK4FASNACACA | |
| SCHEMBL24120330 | 0.85 | PDK1 (0.36) | CYP1A2TSHRCYP2D6P2RX7IRAK4 | |
| SCHEMBL21361287 | 0.84 | IRAK4 (0.37) | CYP2C9P2RX7IRAK4FASNCNR2 | |
| SCHEMBL21361227 | 0.84 | ALDH1A1 (0.36) | CYP1A2TSHRMEN1CYP2C9KMT2A |
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-2021009048-A1 | HERBICIDAL CYCLOHEXANEDIONE DERIVATIVES | SYNGENTA CROP PROTECTION AG (CH) | 2021-01-21 | — | — | WO | disclosed |