Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP3 | P08254 | 1/20 | 0.51 |
| ▸ | TRPM8 | Q7Z2W7 | 15/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7993217 | 0.92 | MMP3 (0.63) | MMP3TRPM8KEAP1NFE2L2CNR2 | |
| SCHEMBL7991336 | 0.91 | MMP3 (0.47) | MMP3TRPM8KEAP1NFE2L2CNR2 | |
| SCHEMBL7979094 | 0.76 | MMP3 (0.50) | MMP3TRPM8KEAP1NFE2L2 | |
| SCHEMBL7990098 | 0.70 | MMP3 (0.77) | MMP3TRPM8KEAP1NFE2L2 | |
| SCHEMBL6411443 | 0.68 | HSD11B1 (0.61) | — | |
| SCHEMBL7394926 | 0.68 | MMP3 (1.00) | MMP3 | |
| SCHEMBL1170175 | 0.66 | PTGES (0.74) | TRPM8CNR2MEP1B | |
| SCHEMBL7979048 | 0.66 | MMP3 (0.76) | MMP3 | |
| SCHEMBL27404001 | 0.63 | MMP13 (0.60) | KEAP1NFE2L2NR3C1 | |
| SCHEMBL7631724 | 0.62 | ALDH1A1 (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6288261-B1 | DRUGS FOR INHIBITION OF ENZYMES | ABBOTT LABORATORIES | 2001-09-11 | — | — | US | disclosed |