Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15428851 | 0.91 | NPC1 (0.43) | ALDH1A1HPGDENPP2CCNCCDK8 | |
| SCHEMBL3377274 | 0.84 | ALDH1A1 (0.51) | ALDH1A1HPGDKDM4EENPP2HSD17B10 | |
| SCHEMBL1299857 | 0.83 | ALDH1A1 (0.41) | ALDH1A1HPGDKDM4EENPP2HSD17B10 | |
| SCHEMBL1316087 | 0.79 | MMP13 (0.47) | — | |
| SCHEMBL3413733 | 0.77 | ALDH1A1 (0.66) | ALDH1A1HPGDKDM4ENR4A1NR4A2 | |
| SCHEMBL1317504 | 0.76 | NR4A1 (0.68) | ALDH1A1HPGDNR4A1NR4A2NR4A3 | |
| SCHEMBL1317581 | 0.75 | NR4A1 (0.56) | ALDH1A1HPGDKDM4ENR4A1NR4A2 | |
| SCHEMBL1317461 | 0.75 | NR4A1 (0.51) | ALDH1A1HPGDKDM4ENR4A1NR4A2 | |
| SCHEMBL1317391 | 0.75 | ALDH1A1 (0.46) | ALDH1A1HPGDKDM4ENR4A1NR4A2 | |
| SCHEMBL1319813 | 0.75 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4ENR4A1NR4A2 |
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-8637550-B2 | Heteroaryl diamide compounds useful as MMP-13 inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-28 | — | — | US | disclosed |