Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 3/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 6/20 | 0.36 |
| ▸ | FASN | P49327 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | 0.94 | IMPDH2 (0.40) | IMPDH2ALOX5FASNPTPN1BACE1 | |
| SCHEMBL28604126 | 0.84 | IAPP (0.40) | IMPDH2ALOX5FASNBACE1CYP1A2 | |
| SCHEMBL28919445 | 0.82 | IMPDH2 (0.45) | IMPDH2ALOX5MAPTKDM4ENPC1 | |
| SCHEMBL28604220 | 0.78 | HMGCR (0.36) | IMPDH2ALOX5FASNPTPN1BACE1 | |
| SCHEMBL28601494 | 0.75 | PTPN1 (0.35) | PTPN1BACE1MAPTKDM4ENPC1 | |
| SCHEMBL28614793 | 0.75 | CYP3A4 (0.35) | ALOX5PTPN1MAPTKDM4ENPC1 | |
| SCHEMBL28603859 | 0.72 | ALOX5 (0.41) | IMPDH2ALOX5FASNMAPTKDM4E | |
| SCHEMBL28608376 | 0.70 | CYP3A4 (0.38) | ALOX5PTPN1BACE1MAPTKDM4E | |
| SCHEMBL28612708 | 0.69 | KMT2A (0.46) | IMPDH2FASNBACE1MAPTKDM4E | |
| SCHEMBL25215774 | 0.68 | CYP3A4 (0.44) | PTPN1MAPTKDM4ECYP3A4MEN1 |
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 |