Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10402176 | 0.87 | CYP1A2 (0.50) | CYP2D6CYP1A2CYP2C19TSHRTDP1 | |
| SCHEMBL11515477 | 0.86 | MAPT (0.49) | CYP2D6CYP1A2CYP2C19TSHRALDH1A1 | |
| SCHEMBL1788323 | 0.85 | TSHR (0.50) | CYP2D6CYP1A2CYP2C19TSHRTDP1 | |
| SCHEMBL28354348 | 0.84 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP2C19TSHRTDP1 | |
| SCHEMBL14862140 | 0.83 | ALDH1A1 (0.68) | CYP2D6CYP1A2CYP2C19TSHRTDP1 | |
| SCHEMBL1782981 | 0.83 | MEN1 (0.48) | CYP2D6CYP1A2CYP2C19TSHRTDP1 | |
| SCHEMBL28466734 | 0.83 | AKR1C3 (0.50) | CYP1A2CYP2C19TSHRTDP1ALDH1A1 | |
| SCHEMBL29489355 | 0.82 | TSHR (0.50) | TSHRTDP1ALDH1A1HSD17B10LMNA | |
| SCHEMBL561394 | 0.81 | ALDH1A1 (0.60) | CYP2D6CYP1A2CYP2C19TSHRTDP1 | |
| SCHEMBL260960 | 0.81 | TDP1 (0.64) | CYP2D6CYP1A2CYP2C19TSHRTDP1 |
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-111108106-B | Heterocyclic derivatives as pest control agents | 拜耳公司 | 2023-02-03 | — | — | CN | disclosed |