Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.39 |
| ▸ | PDE2A | O00408 | 3/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23905645 | 0.81 | ALDH1A1 (0.39) | CES2CES1PTPN1LMNAALDH1A1 | |
| SCHEMBL20696663 | 0.73 | CES2 (0.40) | CES2CES1SRD5A2GRIN2BPDE2A | |
| SCHEMBL11442428 | 0.72 | CES2 (0.45) | CES2CES1SRD5A2GRIN2BPDE2A | |
| SCHEMBL8553654 | 0.69 | CES2 (0.65) | CES2CES1SRD5A2GSK3BPTPN1 | |
| SCHEMBL8402410 | 0.69 | GRIN2B (0.36) | CES2CES1GRIN2BPDE2ALMNA | |
| SCHEMBL13731810 | 0.65 | ALDH1A1 (0.61) | CES2CES1SRD5A2GSK3BPTPN1 | |
| SCHEMBL13731809 | 0.65 | ALDH1A1 (0.61) | CES2CES1SRD5A2GSK3BPTPN1 | |
| SCHEMBL16563626 | 0.65 | GAA (0.46) | CES2CES1SRD5A2GRIN2BPDE2A | |
| SCHEMBL15761193 | 0.65 | GAA (0.46) | CES2CES1SRD5A2GRIN2BPDE2A | |
| SCHEMBL17133996 | 0.65 | GAA (0.46) | CES2CES1SRD5A2GRIN2BPDE2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021198981-A1 | ANTIVIRAL COMPOUNDS AND USES THEREOF | Janssen Biopharma, Inc. (US) | 2021-10-07 | — | — | WO | disclosed |