Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 6/20 | 0.51 |
| ▸ | TP53 | P04637 | 3/20 | 0.51 |
| ▸ | KDR | P35968 | 2/20 | 0.51 |
| ▸ | THRB | P10828 | 2/20 | 0.51 |
| ▸ | HPSE | Q9Y251 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6818256 | 0.87 | NPC1 (0.58) | NPC1ALDH1A1KDM4EMAPK1RAB9A | |
| SCHEMBL6824973 | 0.86 | NPC1 (0.57) | NPC1ALDH1A1KDM4EMAPK1RAB9A | |
| SCHEMBL6821886 | 0.85 | NPC1 (0.62) | NPC1ALDH1A1KDM4EMAPK1RAB9A | |
| SCHEMBL6822259 | 0.84 | KDM4E (0.61) | NPC1ALDH1A1KDM4EMAPK1RAB9A | |
| SCHEMBL6821840 | 0.82 | NPC1 (0.65) | NPC1ALDH1A1KDM4EMAPK1RAB9A | |
| SCHEMBL6686839 | 0.81 | NPC1 (0.65) | NPC1ALDH1A1KDM4EMAPK1RAB9A | |
| SCHEMBL5835809 | 0.81 | NPC1 (0.75) | NPC1ALDH1A1RAB9APTGS2MAPT | |
| SCHEMBL6822046 | 0.81 | NPC1 (0.58) | NPC1ALDH1A1KDM4EMAPK1RAB9A | |
| SCHEMBL6821903 | 0.80 | NPC1 (0.53) | NPC1ALDH1A1KDM4EMAPK1RAB9A | |
| SCHEMBL6681482 | 0.80 | NPC1 (0.64) | NPC1ALDH1A1KDM4ERAB9APTGS2 |
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 |