Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | KDR | P35968 | 6/20 | 0.49 |
| ▸ | TP53 | P04637 | 7/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.46 |
| ▸ | RELA | Q04206 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Methane SCHEMBL6824362 | 0.99 | NPC1 (0.61) | NPC1ALDH1A1KDM4EMAPK1KDR | |
| SCHEMBL6822046 | 0.83 | NPC1 (0.58) | NPC1ALDH1A1KDM4EMAPK1KDR | |
| Methane SCHEMBL6821779 | 0.82 | NPC1 (0.57) | NPC1ALDH1A1KDM4EMAPK1KDR | |
| SCHEMBL6818285 | 0.81 | NPC1 (0.67) | NPC1ALDH1A1KDM4EMAPK1KDR | |
| SCHEMBL6824090 | 0.81 | ALDH1A1 (0.56) | NPC1ALDH1A1KDM4EMAPK1KDR | |
| SCHEMBL6818336 | 0.81 | KDM4E (0.56) | NPC1ALDH1A1KDM4EMAPK1KDR | |
| SCHEMBL6818596 | 0.81 | MAPT (0.56) | NPC1ALDH1A1KDM4EMAPK1KDR | |
| SCHEMBL6818279 | 0.81 | KDM4E (0.70) | NPC1ALDH1A1KDM4EMAPK1KDR | |
| SCHEMBL23582306 | 0.80 | ALDH1A1 (0.59) | NPC1ALDH1A1KDM4EMAPK1KDR | |
| SCHEMBL6821781 | 0.80 | NPC1 (0.62) | NPC1ALDH1A1KDM4EMAPK1KDR |
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 |