Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.36 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.32 |
| ▸ | GRM6 | O15303 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GRM8 | O00222 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.30 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.30 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11297880 | 0.83 | EPHX1 (0.38) | EPHX1CYP1A2 | |
| SCHEMBL4069142 | 0.75 | SLC6A12 (0.45) | APLNRCYP1A2SLC6A12SLC6A11GRM4 | |
| Bicarbonate SCHEMBL10706379 | 0.74 | CYP1A2 (0.53) | APLNRCYP1A2CYP2C19 | |
| SCHEMBL4600499 | 0.74 | APLNR (0.60) | APLNRCYP1A2SLC6A11GRM4GRM6 | |
| Hydrochloric Acid SCHEMBL8320325 | 0.72 | APLNR (0.58) | APLNRCYP1A2SLC6A11GRM4GRM6 | |
| SCHEMBL22236898 | 0.72 | EPHX1 (0.33) | EPHX1APLNR | |
| SCHEMBL19917125 | 0.72 | KCNQ3 (0.38) | EPHX1APLNRCYP1A2SLC6A12SLC6A11 | |
| SCHEMBL10145358 | 0.72 | — | — | |
| SCHEMBL9885352 | 0.72 | EPHX1 (0.62) | EPHX1MEN1ALDH1A1KMT2A | |
| SCHEMBL14262195 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4318900-A | STIMULANTS | WILKINSON SWORD LIMITED (GB) | 1982-03-09 | — | — | US | disclosed |
| US-4248859-A | USED IN EDIBLE AND TOPICAL PREPARATIONS | WILKINSON SWORD LIMITED (GB) | 1981-02-03 | — | — | US | disclosed |