Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 6/20 | 0.51 |
| ▸ | TP53 | P04637 | 3/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 6/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | C1R | P00736 | 1/20 | 0.45 |
| ▸ | CETP | P11597 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6822046 | 0.99 | NPC1 (0.58) | NPC1ALDH1A1KDM4EMAPK1MAPT | |
| Methane SCHEMBL6824362 | 0.83 | NPC1 (0.61) | NPC1ALDH1A1KDM4EMAPK1MAPT | |
| SCHEMBL21747490 | 0.82 | MAPT (0.52) | NPC1ALDH1A1KDM4EMAPTTP53 | |
| SCHEMBL6818283 | 0.82 | NPC1 (0.62) | NPC1ALDH1A1KDM4EMAPK1MAPT | |
| SCHEMBL6818256 | 0.81 | NPC1 (0.58) | NPC1ALDH1A1KDM4EMAPK1MAPT | |
| SCHEMBL6821886 | 0.80 | NPC1 (0.62) | NPC1ALDH1A1KDM4EMAPK1MAPT | |
| SCHEMBL6818220 | 0.80 | NPC1 (0.52) | NPC1ALDH1A1KDM4EMAPK1MAPT | |
| SCHEMBL6821903 | 0.80 | NPC1 (0.53) | NPC1ALDH1A1KDM4EMAPK1MAPT | |
| SCHEMBL6821078 | 0.80 | NPC1 (0.52) | NPC1ALDH1A1KDM4EMAPK1MAPT | |
| SCHEMBL6824973 | 0.80 | NPC1 (0.57) | NPC1ALDH1A1KDM4EMAPK1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004046122-A2 | BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS | OXFORD GLYCOSCIENCES (UK) LTD (GB) | 2004-06-03 | — | — | WO | disclosed |