Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.63 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.63 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.52 |
| ▸ | RAF1 | P04049 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 2/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | STAT3 | P40763 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | GAPDH | P04406 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16990654 | 0.86 | HDAC1 (0.55) | HDAC1HDAC6RAF1KDM4ESMN1; SMN2 | |
| SCHEMBL102637 | 0.85 | RAF1 (0.72) | RIPK2RAF1MAPK14 | |
| SCHEMBL15574569 | 0.85 | KDR (0.58) | HDAC1HDAC6RIPK2RAF1SMN1; SMN2 | |
| SCHEMBL15573126 | 0.80 | POLB (0.70) | SMN1; SMN2NPC1RAB9AMMP13MMP2 | |
| SCHEMBL16990619 | 0.79 | HTT (0.64) | NPC1RAB9AHTTNAMPT | |
| SCHEMBL15573354 | 0.78 | SMN1; SMN2 (0.70) | SMN1; SMN2NPC1RAB9AMMP13MMP2 | |
| SCHEMBL3175321 | 0.78 | RAF1 (0.73) | RIPK2RAF1SMN1; SMN2MMP13MMP2 | |
| SCHEMBL15574555 | 0.78 | KMT2A (0.72) | RAF1SMN1; SMN2HTTNAMPT | |
| SCHEMBL15574721 | 0.77 | KMT2A (0.58) | NPC1RAB9AHTTNAMPT | |
| SCHEMBL15289714 | 0.77 | HDAC1 (1.00) | HDAC1HDAC6SMN1; SMN2NPC1RAB9A |
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-2890380-A2 | DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS | Merck Patent GmbH (DE) | 2015-07-08 | — | — | EP | disclosed |
| WO-2014032755-A2 | DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS | MERCK PATENT GMBH (DE) | 2014-03-06 | — | — | WO | disclosed |