Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | CASR | P41180 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KLK7 | P49862 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8122142 | 0.81 | ALDH1A1 (0.60) | ALDH1A1CNR1CNR2NPSR1CASR | |
| SCHEMBL28049334 | 0.79 | LDHA (0.57) | ALDH1A1CASRKMT2AMEN1NPC1 | |
| SCHEMBL6237220 | 0.79 | LDHA (0.57) | ALDH1A1CASRKMT2AMEN1NPC1 | |
| SCHEMBL4651777 | 0.77 | CNR1 (0.48) | ALDH1A1CNR1CNR2NPSR1CASR | |
| Hydrochloric Acid SCHEMBL9204380 | 0.77 | CNR1 (0.46) | ALDH1A1CNR1CNR2NPSR1CASR | |
| SCHEMBL2486055 | 0.77 | ATM (0.64) | CASRTDP1KMT2AMEN1NPC1 | |
| SCHEMBL1162780 | 0.76 | CASR (0.75) | ALDH1A1CASRTDP1KMT2AMEN1 | |
| SCHEMBL6142841 | 0.76 | CASR (0.75) | ALDH1A1CASRTDP1KMT2AMEN1 | |
| SCHEMBL14971737 | 0.76 | ALDH1A1 (0.51) | ALDH1A1CASRKMT2AMEN1NPC1 | |
| SCHEMBL2716941 | 0.76 | ALDH1A1 (0.51) | ALDH1A1CASRNPC1 |
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 |