Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PNP | P00491 | 1/20 | 0.46 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.44 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.44 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | THRA | P10827 | 3/20 | 0.40 |
| ▸ | THRB | P10828 | 3/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | PTPRB | P23467 | 1/20 | 0.40 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28884101 | 0.79 | SRC (0.54) | TSHRSMN1; SMN2GPBAR1CYSLTR1GGPS1 | |
| SCHEMBL9502857 | 0.78 | PTPN1 (0.66) | SMN1; SMN2PTPN1CYP2C9CYP2C19CYSLTR1 | |
| SCHEMBL16902891 | 0.77 | TSHR (0.56) | TSHRSMN1; SMN2GPBAR1CYSLTR1CYP4F2 | |
| SCHEMBL23703080 | 0.77 | MAOB (0.51) | SMN1; SMN2PTPN1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL16902876 | 0.76 | TSHR (0.54) | TSHRSMN1; SMN2GPBAR1CYSLTR1GGPS1 | |
| SCHEMBL10602833 | 0.76 | TSHR (0.54) | TSHRSMN1; SMN2GPBAR1CYSLTR1GGPS1 | |
| Phenoxymethylphosphonate SCHEMBL274327 | 0.75 | CYP2C9 (0.76) | SMN1; SMN2PTPN1CYP2C9CYP2C19GAA | |
| SCHEMBL19375437 | 0.74 | TSHR (0.53) | TSHRSMN1; SMN2GPBAR1CYSLTR1CYP4F2 | |
| SCHEMBL126287 | 0.74 | TP53 (0.55) | TSHRSMN1; SMN2CYP2C9GPBAR1CYSLTR1 | |
| SCHEMBL16902882 | 0.74 | TSHR (0.53) | TSHRSMN1; SMN2GPBAR1CYSLTR1GGPS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0550574-A1 | HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-07-14 | — | — | EP | disclosed |
| WO-1992005180-A1 | HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-04-02 | — | — | WO | disclosed |