Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IAPP | P10997 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 6/20 | 0.36 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.36 |
| ▸ | FASN | P49327 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL28604219 | 0.87 | IMPDH2 (0.40) | ALOX5OR51E2IMPDH2FASNCYP3A4 | |
| SCHEMBL28604220 | 0.87 | HMGCR (0.36) | ALOX5IMPDH2FASNHMGCRBACE1 | |
| SCHEMBL28604124 | 0.84 | IMPDH2 (0.39) | ALOX5OR51E2IMPDH2FASNCYP3A4 | |
| SCHEMBL28919447 | 0.83 | IAPP (0.46) | IAPPALOX5OR51E2IMPDH2FASN | |
| SCHEMBL28614794 | 0.74 | TNFRSF1A (0.36) | IAPPALOX5OR51E2CYP3A4CYP1A2 | |
| SCHEMBL28601494 | 0.69 | PTPN1 (0.35) | CYP3A4CYP1A2CYP2C9CYP2C19BACE1 | |
| SCHEMBL28603861 | 0.69 | HMGCR (0.44) | ALOX5IMPDH2FASNHMGCR | |
| SCHEMBL30550358 | 0.69 | FASN (0.48) | FASNCYP3A4HMGCR | |
| SCHEMBL31659378 | 0.68 | NR1H2 (0.53) | FASNCYP3A4 | |
| SCHEMBL25215774 | 0.67 | CYP3A4 (0.44) | CYP3A4 |
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 |