Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | MMP14 | P50281 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | ULK1 | O75385 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | GCGR | P47871 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KDM6B | O15054 | 1/20 | 0.41 |
| ▸ | TET3 | O43151 | 1/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.41 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KDM5A | P29375 | 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 | |
|---|---|---|---|---|
| SCHEMBL31317792 | 0.82 | CLK1 (0.54) | CDK5CDK5R1MMP2MMP13MMP14 | |
| SCHEMBL21812414 | 0.82 | CLK1 (0.54) | CDK5CDK5R1MMP2MMP13MMP14 | |
| SCHEMBL1313585 | 0.81 | NAMPT (0.57) | MMP13NAMPT | |
| SCHEMBL4334503 | 0.80 | CASP3 (0.57) | NAMPTMAPK14PPARGGCGR | |
| SCHEMBL3379304 | 0.78 | MMP13 (0.52) | MMP13 | |
| SCHEMBL15875947 | 0.78 | S1PR1 (0.43) | KMOCDK5CDK5R1 | |
| SCHEMBL16673126 | 0.77 | KMO (0.62) | KMOKDM4EKDM6BTET3KDM4A | |
| SCHEMBL1550144 | 0.76 | MMP2 (0.65) | MMP2MMP13MMP14KDM4EALDH1A1 | |
| SCHEMBL21812320 | 0.75 | CDK5 (0.49) | CDK5CDK5R1MMP2MMP13MMP14 | |
| SCHEMBL31317802 | 0.75 | CDK5 (0.49) | CDK5CDK5R1MMP2MMP13MMP14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2340243-B1 | HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2014-10-08 | — | — | EP | disclosed |
| US-8785489-B2 | Heteroaryl substituted indole compounds useful as MMP-13 inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-22 | — | — | US | disclosed |
| WO-2010045188-A1 | HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-22 | — | — | WO | disclosed |