Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.30 |
| ▸ | FLT1 | P17948 | 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 | |
|---|---|---|---|---|
| SCHEMBL4967281 | 0.81 | ALDH1A1 (0.41) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| SCHEMBL25498801 | 0.80 | CYP1A2 (0.32) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| SCHEMBL22768991 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| SCHEMBL20033557 | 0.77 | GRM4 (0.30) | GRM4 | |
| SCHEMBL1933286 | 0.76 | — | — | |
| SCHEMBL20033563 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL10901865 | 0.74 | ALDH1A1 (0.52) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| SCHEMBL26438963 | 0.73 | S1PR1 (0.34) | ALDH1A1MEN1KMT2ANAALAD2S1PR1 | |
| SCHEMBL14279904 | 0.72 | HMGCR (0.38) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| SCHEMBL20629972 | 0.68 | TSHR (0.35) | ALDH1A1MEN1CYP1A2THRBKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3650464-A1 | PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND | XDCExplorer (Shanghai) Co., Ltd. (CN) | 2020-05-13 | — | — | EP | disclosed |