Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.39 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL23804635 | 0.76 | CYP3A4 (0.45) | BACE1PTPN1CYP3A4EGFRMEN1 | |
| Butanone SCHEMBL28612716 | 0.73 | CYP3A4 (0.54) | PTPN1CYP3A4MEN1PTGS1DRD3 | |
| SCHEMBL28601494 | 0.70 | PTPN1 (0.35) | BACE1CLCN2PTPN1CYP3A4MEN1 | |
| Phloroglucinol SCHEMBL28617918 | 0.70 | ALDH1A1 (0.59) | BACE1CYP3A4MEN1PTGS1DRD3 | |
| SCHEMBL16096116 | 0.69 | BACE1 (0.46) | BACE1CLCN2ACLYMEN1KMT2A | |
| SCHEMBL6036124 | 0.68 | BACE1 (0.48) | BACE1 | |
| SCHEMBL1390743 | 0.68 | CYP3A4 (0.60) | CYP3A4ALDH1A1TDP1CA12CA1 | |
| Butanone SCHEMBL27683849 | 0.67 | ALDH1A1 (0.62) | ALDH1A1TDP1LMNA | |
| SCHEMBL12587137 | 0.67 | CYP3A4 (0.38) | BACE1PTPN1CYP3A4EGFRMEN1 | |
| SCHEMBL28618565 | 0.67 | CYP3A4 (0.47) | BACE1PTPN1CYP3A4MEN1PTGS1 |
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 |