Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5837003 | 0.98 | CYP3A4 (0.38) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL1256211 | 0.82 | CYP3A4 (0.39) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL895143 | 0.75 | CYP3A4 (0.47) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL70170 | 0.75 | TSHR (0.50) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL2202080 | 0.75 | CYP3A4 (0.47) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| Fluoride SCHEMBL7548973 | 0.73 | TSHR (0.48) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| Methane SCHEMBL27563519 | 0.73 | TSHR (0.48) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL4706664 | 0.73 | CYP3A4 (0.45) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| Bromide SCHEMBL15303887 | 0.73 | TSHR (0.48) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| Water SCHEMBL7548765 | 0.73 | TSHR (0.48) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4925984-A | REACTION WITH BROMINE IN SOLUTION | ETHYL CORPORATION (US) | 1990-05-15 | — | — | US | disclosed |