Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | RPA1 | P27694 | 1/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.49 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.49 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | GHSR | Q92847 | 2/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | CCNC | P24863 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15428850 | 0.84 | ALDH1A1 (0.42) | ALDH1A1HPGDKDM4EENPP2HSD17B10 | |
| SCHEMBL1299857 | 0.76 | ALDH1A1 (0.41) | ALDH1A1HPGDKDM4EENPP2HSD17B10 | |
| SCHEMBL7126700 | 0.75 | KDM4E (0.51) | ALDH1A1HPGDKDM4EENPP2HSD17B10 | |
| SCHEMBL18551785 | 0.75 | BRD4 (0.50) | ALDH1A1HPGDKDM4EENPP2HSD17B10 | |
| SCHEMBL7236510 | 0.75 | ALDH1A1 (0.67) | ALDH1A1HPGDKDM4EHSD17B10RPA1 | |
| SCHEMBL1772679 | 0.75 | ALDH1A1 (0.84) | ALDH1A1HPGDKDM4EHSD17B10RPA1 | |
| SCHEMBL3346625 | 0.74 | TERT (0.49) | ALDH1A1HPGDKDM4ERPA1NR4A1 | |
| SCHEMBL3372616 | 0.73 | SMN1; SMN2 (0.57) | ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL2951840 | 0.73 | KDM4E (0.74) | ALDH1A1HPGDKDM4EENPP2HSD17B10 | |
| SCHEMBL15428851 | 0.73 | NPC1 (0.43) | ALDH1A1HPGDENPP2CCNCCDK8 |
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 |
|---|---|---|---|---|---|---|---|
| US-8338367-B2 | Fused heteroaryl diamide compounds useful as MMP-13 inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-12-25 | — | — | US | disclosed |
| WO-2010045190-A1 | FUSED HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-22 | — | — | WO | disclosed |