Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.54 |
| ▸ | F2 | P00734 | 2/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5472562 | 0.82 | NPC1 (0.70) | NPC1ALDH1A1KDM4EHSD11B1F2 | |
| Guanidine SCHEMBL2289728 | 0.82 | NPC1 (0.69) | NPC1ALDH1A1KDM4EHSD11B1F2 | |
| SCHEMBL3479371 | 0.82 | ALDH1A1 (0.69) | NPC1ALDH1A1KDM4EF2PRSS1 | |
| SCHEMBL3671530 | 0.82 | NPC1 (0.69) | NPC1ALDH1A1KDM4EHSD11B1CYP3A4 | |
| SCHEMBL13413803 | 0.81 | NPC1 (0.68) | NPC1ALDH1A1KDM4EHSD11B1POLB | |
| SCHEMBL6554020 | 0.80 | NPC1 (0.67) | NPC1ALDH1A1KDM4EHSD11B1CA1 | |
| SCHEMBL2027971 | 0.80 | NPC1 (0.67) | NPC1ALDH1A1KDM4EHSD11B1CA1 | |
| SCHEMBL20914731 | 0.80 | ALDH1A1 (0.72) | NPC1ALDH1A1KDM4EHSD11B1POLB | |
| SCHEMBL22333253 | 0.80 | ALDH1A1 (0.67) | NPC1ALDH1A1KDM4EHSD11B1F2 | |
| SCHEMBL6554026 | 0.80 | NPC1 (0.67) | NPC1ALDH1A1KDM4EHSD11B1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0636141-A1 | PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS. | ZENECA LTD (GB) | 1995-02-01 | — | — | EP | disclosed |
| WO-1993021210-A1 | PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS | ZENECA LIMITED (GB) | 1993-10-28 | — | — | WO | disclosed |