Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | S100B | P04271 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8074290 | 0.98 | ALDH1A1 (0.55) | ALDH1A1HTTGAATSHRSMN1; SMN2 | |
| SCHEMBL8068958 | 0.98 | ALDH1A1 (0.55) | ALDH1A1HTTGAATSHRSMN1; SMN2 | |
| SCHEMBL18833416 | 0.89 | ALDH1A1 (0.49) | ALDH1A1HTTGAATSHRSMN1; SMN2 | |
| SCHEMBL29728648 | 0.88 | ALDH1A1 (0.53) | ALDH1A1HTTGAATSHRSMN1; SMN2 | |
| SCHEMBL238269 | 0.88 | ALDH1A1 (0.53) | ALDH1A1HTTGAATSHRSMN1; SMN2 | |
| SCHEMBL3922530 | 0.84 | ALDH1A1 (0.50) | ALDH1A1HTTGAATSHRSMN1; SMN2 | |
| SCHEMBL2313782 | 0.84 | ALDH1A1 (0.53) | ALDH1A1HTTGAATSHRSMN1; SMN2 | |
| SCHEMBL23759791 | 0.83 | TSHR (0.55) | ALDH1A1HTTGAATSHRSMN1; SMN2 | |
| SCHEMBL21262289 | 0.83 | ALDH1A1 (0.56) | ALDH1A1HTTGAATSHRSMN1; SMN2 | |
| SCHEMBL8415604 | 0.83 | ALDH1A1 (0.49) | ALDH1A1HTTGAATSHRSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6051570-A | ANTIULCER AGENTS | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2000-04-18 | — | — | US | disclosed |
| EP-0983263-A1 | NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998054172-A1 | NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S RESEARCH FOUNDATION (IN) | 1998-12-03 | — | — | WO | disclosed |