Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.61 |
| ▸ | ESR1 | P03372 | 6/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | PTPRC | P08575 | 2/20 | 0.43 |
| ▸ | CDC25B | P30305 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | CDC25A | P30304 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30003583 | 0.83 | IDO1 (0.61) | PTPN1ESR1ESR2MAOAUGT1A1 | |
| SCHEMBL8581167 | 0.83 | IDO1 (0.61) | PTPN1ESR1ESR2MAOAUGT1A1 | |
| SCHEMBL19853370 | 0.81 | PTPN1 (0.62) | PTPN1CES2CES1CDC25BIDO1 | |
| SCHEMBL5161123 | 0.76 | PTPN1 (1.00) | PTPN1CES2CES1PTPRCCDC25B | |
| SCHEMBL30081943 | 0.76 | PTPN1 (1.00) | PTPN1CES2CES1PTPRCCDC25B | |
| SCHEMBL19853366 | 0.74 | PTPN1 (0.62) | PTPN1ESR1ESR2CES2CES1 | |
| SCHEMBL29173163 | 0.71 | ESR1 (0.67) | PTPN1ESR1ESR2MAOAUGT1A1 | |
| SCHEMBL31741251 | 0.71 | TDP2 (0.46) | PTPN1ESR1ESR2MAOAUGT1A1 | |
| SCHEMBL9353100 | 0.70 | ESR2 (0.53) | PTPN1ESR1ESR2MAOAUGT1A1 | |
| SCHEMBL23111390 | 0.70 | ESR2 (0.80) | ESR1ESR2MAOAUGT1A1MAOB |
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-2018025259-A1 | ENZYME INHIBITORS | TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) | 2018-02-08 | — | — | WO | disclosed |