Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 4/20 | 0.39 |
| ▸ | KLK1 | P06870 | 4/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 4/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PRKCG | P05129 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | PRKX | P51817 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6702617 | 0.96 | MMP13 (0.41) | MMP13NAMPTNPC1RAB9APTGER4 | |
| SCHEMBL6819953 | 0.92 | MMP13 (0.38) | MMP13NAMPTNPC1RAB9APTGER4 | |
| SCHEMBL6819957 | 0.90 | NPC1 (0.46) | MMP13NAMPTNPC1RAB9AALDH1A1 | |
| SCHEMBL6822413 | 0.86 | L3MBTL1 (0.46) | NAMPTALDH1A1HSD17B10ROCK2ROCK1 | |
| SCHEMBL6822414 | 0.82 | PTGDR2 (0.36) | MMP13KLKB1 | |
| SCHEMBL6698006 | 0.82 | MMP13 (0.49) | MMP13PTGER4GSK3B | |
| SCHEMBL6700620 | 0.78 | MMP13 (0.44) | MMP13NAMPTPTGER4ALDH1A1HSD17B10 | |
| SCHEMBL6818697 | 0.72 | MAPK1 (0.44) | MMP13ALDH1A1HSD17B10ROCK2RPS6KA5 | |
| SCHEMBL6698728 | 0.71 | PTGER4 (0.47) | MMP13PTGER4ALDH1A1 | |
| SCHEMBL6702248 | 0.70 | MMP13 (0.43) | MMP13NAMPTPTGER4ALDH1A1ROCK2 |
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-2004014916-A1 | PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | claimed |