Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MMP12 | P39900 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | NHERF1 | O14745 | 1/20 | 0.40 |
| ▸ | MMP10 | P09238 | 2/20 | 0.40 |
| ▸ | MMP9 | P14780 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 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 | |
|---|---|---|---|---|
| SCHEMBL1315738 | 0.90 | MMP13 (0.51) | MMP13NPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL12122274 | 0.87 | NPC1 (0.41) | MMP13NPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL7923847 | 0.84 | MMP13 (0.45) | MMP13NPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL7923845 | 0.75 | MAPT (0.49) | NPC1ALDH1A1RAB9AROCK2 | |
| SCHEMBL1312937 | 0.74 | MMP13 (0.63) | MMP13MMP10MMP9AURKAMMP2 | |
| SCHEMBL1312918 | 0.74 | MMP13 (0.53) | MMP13NPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL1314658 | 0.74 | MMP13 (0.67) | MMP13MMP10MMP9AURKAMMP2 | |
| SCHEMBL12122262 | 0.72 | MMP13 (0.42) | MMP13NPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL1313874 | 0.71 | MMP13 (0.55) | MMP13ALDH1A1HPGDRAB9AMMP10 | |
| SCHEMBL1314339 | 0.70 | MMP13 (0.55) | MMP13ALDH1A1HPGDRAB9AROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010045188-A1 | HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-22 | — | — | WO | disclosed |