Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | FASN | P49327 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2788789 | 0.81 | MEN1 (0.69) | CYP3A4ACHERECQLPOLBGAA | |
| Hydrochloric Acid SCHEMBL28825358 | 0.79 | MEN1 (0.67) | CYP3A4ACHERECQLPOLBGAA | |
| SCHEMBL23168075 | 0.78 | CYP3A4 (0.61) | CYP3A4ACHERECQLPOLBGAA | |
| SCHEMBL6762243 | 0.76 | TDP1 (0.43) | RECQLPOLBGAAFASNCA12 | |
| SCHEMBL11851967 | 0.75 | NFKB1 (0.66) | CYP3A4RECQLPOLBGAAFASN | |
| SCHEMBL19433113 | 0.74 | CA12 (0.50) | CYP3A4ACHERECQLPOLBGAA | |
| SCHEMBL28603866 | 0.74 | FASN (0.48) | CYP3A4ACHERECQLFASNCA12 | |
| SCHEMBL19433087 | 0.73 | CA12 (0.53) | CYP3A4ACHERECQLPOLBGAA | |
| SCHEMBL725269 | 0.73 | CYP3A4 (0.77) | CYP3A4ACHERECQLPOLBGAA | |
| SCHEMBL25170495 | 0.73 | ALDH1A1 (0.58) | CYP3A4RECQLFASNCA12CA1 |
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-109293493-B | Novel benzhydryl compounds with mycobacterium tuberculosis inhibiting activity | 清华大学 | 2021-08-03 | — | — | CN | disclosed |