Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPRB | P23467 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8125850 | 0.86 | PTPRB (0.42) | PTPRBALDH1A1LMNAL3MBTL1GAA | |
| SCHEMBL8127301 | 0.82 | MEN1 (0.33) | KMT2AMEN1 | |
| SCHEMBL8123645 | 0.79 | ADAMTS5 (0.44) | ALDH1A1LMNAL3MBTL1RECQLHPGD | |
| SCHEMBL8121207 | 0.79 | NPY1R (0.35) | — | |
| SCHEMBL8123419 | 0.79 | TRPV1 (0.37) | — | |
| SCHEMBL8114061 | 0.77 | PLAAT3 (0.41) | THRBKMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8125989 | 0.77 | NPY1R (0.37) | KMT2ACYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL8112864 | 0.76 | F2 (0.36) | GAAKMT2AMEN1 | |
| SCHEMBL8122024 | 0.76 | HDAC3 (0.41) | KMT2ACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8120928 | 0.76 | NR1D1 (0.36) | LMNAGAA |
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-0680469-B1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | BOEHRINGER INGELHEIM PHARMA (DE) | 2000-04-26 | — | — | EP | disclosed |