Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | MASP2 | O00187 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | FABP6 | P51161 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11715401 | 0.88 | ALDH1A1 (0.50) | ALDH1A1MASP2MEN1NUDT1KMT2A | |
| SCHEMBL5680411 | 0.82 | TRPA1 (0.52) | ALDH1A1MASP2MEN1NUDT1KMT2A | |
| SCHEMBL5678732 | 0.82 | JAK2 (0.55) | ALDH1A1MASP2MEN1NUDT1KMT2A | |
| SCHEMBL5682985 | 0.82 | BACE1 (0.52) | ALDH1A1MASP2MEN1NUDT1KMT2A | |
| SCHEMBL3827667 | 0.79 | ALDH1A1 (0.58) | ALDH1A1MASP2MEN1NUDT1KMT2A | |
| SCHEMBL5679161 | 0.78 | DHFR (0.56) | ALDH1A1MASP2MEN1NUDT1KMT2A | |
| SCHEMBL5679606 | 0.78 | ALDH1A1 (0.47) | ALDH1A1MASP2MEN1NUDT1KMT2A | |
| SCHEMBL5681861 | 0.77 | ALDH1A1 (0.47) | ALDH1A1MASP2MEN1NUDT1KMT2A | |
| SCHEMBL5679610 | 0.75 | TRPA1 (0.58) | ALDH1A1MASP2MEN1NUDT1KMT2A | |
| SCHEMBL214526 | 0.73 | ALDH1A1 (0.53) | ALDH1A1MASP2MEN1NUDT1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1620413-A2 | COMPOUNDS, COMPOSITIONS, AND METHODS | Cytokinetics, Inc. (US) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004098494-A2 | COMPOUNDS, COMPOSITIONS, AND METHODS | CYTOKINETICS, INC. (US) | 2004-11-18 | — | — | WO | disclosed |
| US-4004016-A | ANTIINFLAMMATORY | E. R. SQUIBB & SONS, INC. (US) | 1977-01-18 | — | — | US | disclosed |
| US-3981886-A | Amino-benzimidazole derivatives | E. R. SQUIBB & SONS, INC. (US) | 1976-09-21 | — | — | US | disclosed |