Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18380896 | 0.79 | ESR1 (0.38) | ESR1ESR2PDCD1CD274MAPT | |
| SCHEMBL18601823 | 0.79 | ESR1 (0.38) | ESR1ESR2PDCD1CD274MAPT | |
| SCHEMBL19223942 | 0.75 | ESR1 (0.34) | ESR1ESR2PDCD1CD274 | |
| SCHEMBL20217114 | 0.72 | ESR1 (0.32) | ESR1ESR2PDCD1CD274 | |
| Alpha-Phellandrene SCHEMBL159519 | 0.70 | USP2 (0.32) | — | |
| Alpha-Phellandrene SCHEMBL159518 | 0.70 | USP2 (0.32) | — | |
| Alpha-Phellandrene SCHEMBL22497679 | 0.70 | USP2 (0.32) | — | |
| SCHEMBL18292740 | 0.70 | ESR1 (0.39) | ESR1ESR2PDCD1CD274MAPT | |
| SCHEMBL13902766 | 0.70 | ACHE (0.52) | ACHEESR1ESR2PDCD1CD274 | |
| SCHEMBL17775048 | 0.69 | — | — |
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-2012061767-A2 | DEFENSIN-LIKE MOLECULES AS NOVEL ANTIMICROBIAL AGENTS | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2012-05-10 | — | — | WO | disclosed |