Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP9 | P14780 | 11/20 | 0.58 |
| ▸ | MMP2 | P08253 | 14/20 | 0.56 |
| ▸ | MMP3 | P08254 | 10/20 | 0.56 |
| ▸ | MMP13 | P45452 | 10/20 | 0.56 |
| ▸ | MMP1 | P03956 | 9/20 | 0.56 |
| ▸ | MMP7 | P09237 | 9/20 | 0.56 |
| ▸ | ADAMTS4 | O75173 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | MMP14 | P50281 | 1/20 | 0.50 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.49 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.49 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12467072 | 1.00 | MMP9 (0.58) | MMP9MMP2MMP3MMP13MMP1 | |
| SCHEMBL159724 | 0.87 | CYP2C9 (0.50) | MMP9MMP2MMP3MMP13MMP1 | |
| SCHEMBL8283901 | 0.86 | MMP2 (0.76) | MMP9MMP2MMP3MMP13MMP1 | |
| SCHEMBL8448685 | 0.84 | ADAMTS4 (0.63) | MMP9MMP2MMP3MMP13MMP1 | |
| SCHEMBL6296214 | 0.82 | MMP9 (0.73) | MMP9MMP2MMP3MMP13MMP1 | |
| SCHEMBL21538657 | 0.82 | MMP9 (0.73) | MMP9MMP2MMP3MMP13MMP1 | |
| SCHEMBL6302637 | 0.82 | MMP9 (0.73) | MMP9MMP2MMP3MMP13MMP1 | |
| SCHEMBL15227808 | 0.81 | MMP9 (0.60) | MMP9MMP2MMP3MMP13MMP1 | |
| SCHEMBL16004878 | 0.81 | MMP2 (0.74) | MMP9MMP2MMP3MMP13MMP1 | |
| SCHEMBL12467075 | 0.81 | MMP2 (0.56) | MMP9MMP2MMP3MMP13MMP1 |
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-2012031298-A2 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |