Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 4/20 | 0.65 |
| ▸ | AURKA | O14965 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | WDR5 | P61964 | 1/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | PRKACA | P17612 | 1/20 | 0.53 |
| ▸ | GSK3A | P49840 | 1/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | PRKX | P51817 | 1/20 | 0.53 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL15428870 | 0.90 | KMT2A (0.67) | MMP13CHRM3KMT2AMEN1ALDH1A1 | |
| SCHEMBL1318756 | 0.87 | NR1H4 (0.55) | MMP13HPGDLMNAKMT2AALDH1A1 | |
| SCHEMBL15428857 | 0.87 | CHRM3 (0.54) | MMP13HPGDLMNACHRM3WDR5 | |
| SCHEMBL15428879 | 0.84 | POLB (0.58) | MMP13LMNACHRM3KMT2AALDH1A1 | |
| SCHEMBL15428881 | 0.84 | PPARG (0.49) | MMP13LMNA | |
| SCHEMBL15428855 | 0.84 | CHRM3 (0.57) | MMP13CHRM3ROCK2ROCK1 | |
| SCHEMBL1319516 | 0.83 | MMP13 (0.66) | MMP13AURKAHPGDLMNACHRM3 | |
| SCHEMBL15428856 | 0.83 | NR1H4 (0.60) | MMP13HPGDKMT2AALDH1A1ROCK2 | |
| SCHEMBL15428849 | 0.83 | MMP13 (0.54) | MMP13LMNAKMT2AMEN1ALDH1A1 | |
| SCHEMBL1317093 | 0.83 | MMP13 (0.65) | MMP13AURKAHPGDLMNACHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |