Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.49 |
| ▸ | MGLL | Q99685 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22491559 | 1.00 | ALDH1A1 (0.50) | ALDH1A1NR3C2MGLLGAADRD2 | |
| SCHEMBL22491357 | 1.00 | ALDH1A1 (0.50) | ALDH1A1NR3C2MGLLGAADRD2 | |
| SCHEMBL29734453 | 1.00 | ALDH1A1 (0.50) | ALDH1A1NR3C2MGLLGAADRD2 | |
| SCHEMBL22491407 | 1.00 | ALDH1A1 (0.50) | ALDH1A1NR3C2MGLLGAADRD2 | |
| SCHEMBL29734418 | 1.00 | ALDH1A1 (0.50) | ALDH1A1NR3C2MGLLGAADRD2 | |
| SCHEMBL22491391 | 0.93 | TRPV1 (0.49) | ALDH1A1NR3C2MGLLGAAMAPT | |
| SCHEMBL29734553 | 0.93 | TRPV1 (0.49) | ALDH1A1NR3C2MGLLGAAMAPT | |
| SCHEMBL22491414 | 0.93 | TRPV1 (0.49) | ALDH1A1NR3C2MGLLGAAMAPT | |
| SCHEMBL22491418 | 0.93 | TRPV1 (0.49) | ALDH1A1NR3C2MGLLGAAMAPT | |
| SCHEMBL29734535 | 0.93 | TRPV1 (0.49) | ALDH1A1NR3C2MGLLGAAMAPT |
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-3717477-B1 | NEW HETEROCYCLIC COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2022-07-20 | — | — | EP | disclosed |