Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.35 |
| ▸ | FASN | P49327 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1263562 | 0.77 | ALDH1A1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL69301 | 0.76 | CYP3A4 (0.56) | CYP3A4CA1CA2TDP1ACHE | |
| Methoxymethane SCHEMBL28032536 | 0.74 | CYP3A4 (0.54) | CYP3A4CA1CA2TDP1ACHE | |
| SCHEMBL2066003 | 0.73 | POLB (0.44) | CYP3A4NR1H2NR1H3ACHEMAPT | |
| SCHEMBL11630233 | 0.73 | TDP1 (0.54) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL19433124 | 0.72 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7726674 | 0.72 | MAOB (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28861216 | 0.72 | HIF1A (0.41) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL11028787 | 0.72 | IRAK4 (0.42) | IDO1TDO2ACHEIRAK4 | |
| SCHEMBL28047856 | 0.72 | FFAR1 (0.56) | CYP3A4NR1H2NR1H3MEN1KMT2A |
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 |