Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.66 |
| ▸ | HPGD | P15428 | 1/20 | 0.66 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.50 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15428869 | 0.89 | PIM1 (0.52) | ALDH1A1HPGDNR4A1NR4A2NR4A3 | |
| SCHEMBL1319813 | 0.88 | ALDH1A1 (0.50) | ALDH1A1HPGDNR4A1NR4A2NR4A3 | |
| SCHEMBL1317461 | 0.88 | NR4A1 (0.51) | ALDH1A1HPGDNR4A1NR4A2NR4A3 | |
| SCHEMBL3415842 | 0.88 | ALDH1A1 (0.50) | ALDH1A1HPGDNR4A1NR4A2NR4A3 | |
| SCHEMBL1317504 | 0.86 | NR4A1 (0.68) | ALDH1A1HPGDNR4A1NR4A2NR4A3 | |
| SCHEMBL1317391 | 0.85 | ALDH1A1 (0.46) | ALDH1A1HPGDNR4A1NR4A2NR4A3 | |
| SCHEMBL1319690 | 0.85 | ALDH1A1 (0.47) | ALDH1A1HPGDNR4A1NR4A2NR4A3 | |
| SCHEMBL1317581 | 0.83 | NR4A1 (0.56) | ALDH1A1HPGDNR4A1NR4A2NR4A3 | |
| SCHEMBL1317266 | 0.83 | RAB9A (0.53) | ALDH1A1HPGDNPC1RAB9AKMT2A | |
| SCHEMBL1318776 | 0.82 | MCL1 (0.46) | ALDH1A1HPGDKMT2A |
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-2346831-B1 | HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2015-01-07 | — | — | EP | disclosed |
| US-8637550-B2 | Heteroaryl diamide compounds useful as MMP-13 inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-28 | — | — | US | disclosed |
| WO-2010056585-A2 | HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-05-20 | — | — | WO | disclosed |