Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PTPRC | P08575 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | GRIA4 | P48058 | 4/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19502452 | 0.98 | ALDH1A1 (0.46) | ALDH1A1MAPTL3MBTL1PTPRCPTPN1 | |
| SCHEMBL26046508 | 0.90 | PTPRC (0.53) | ALDH1A1MAPTL3MBTL1PTPRCPTPN1 | |
| SCHEMBL12856701 | 0.87 | PTPRC (0.56) | ALDH1A1MAPTL3MBTL1PTPRCPTPN1 | |
| SCHEMBL23047589 | 0.82 | WDR5 (0.42) | ALDH1A1MAPTL3MBTL1PTPRCPTPN1 | |
| SCHEMBL30170547 | 0.82 | ABL1 (0.42) | ALDH1A1BACE1 | |
| SCHEMBL5698461 | 0.81 | PTGS2 (0.52) | ALDH1A1MAPTPDK2MAP4K4NPC1 | |
| SCHEMBL533630 | 0.80 | PTGS2 (0.50) | ALDH1A1MAPTL3MBTL1PTPRCPTPN1 | |
| SCHEMBL2140802 | 0.80 | ALDH1A1 (0.50) | ALDH1A1MAPTL3MBTL1PTPRCPTPN1 | |
| SCHEMBL30543293 | 0.80 | ALDH1A1 (0.50) | ALDH1A1MAPTL3MBTL1PTPRCPTPN1 | |
| SCHEMBL201614 | 0.79 | L3MBTL1 (0.50) | ALDH1A1MAPTL3MBTL1PTPRCPTPN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022008475-A1 | INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER | UNIVERSITE CLAUDE BERNARD LYON 1 (FR) | 2022-01-13 | — | — | WO | disclosed |
| EP-2190822-A2 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2010-06-02 | — | — | EP | disclosed |
| WO-2009041705-A9 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009041705-A2 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-04-02 | — | — | WO | disclosed |
| US-4629733-A | CARDIOVASCULAR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1986-12-16 | — | — | US | disclosed |