Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP3 | P08254 | 11/20 | 0.47 |
| ▸ | MMP1 | P03956 | 9/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 15/20 | 0.45 |
| ▸ | MMP7 | P09237 | 1/20 | 0.45 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13494786 | 1.00 | MMP3 (0.47) | MMP3MMP1MMP9MMP2MMP7 | |
| SCHEMBL17377402 | 0.98 | MMP3 (0.44) | MMP3MMP1MMP9MMP2MMP7 | |
| SCHEMBL20414883 | 0.92 | CA2 (0.44) | MMP3MMP1MMP9MMP2SPHK1 | |
| SCHEMBL13351183 | 0.92 | CA2 (0.44) | MMP3MMP1MMP9MMP2SPHK1 | |
| SCHEMBL24723256 | 0.85 | MMP2 (0.40) | MMP3MMP1MMP9MMP2MMP7 | |
| SCHEMBL13351066 | 0.83 | GPR84 (0.44) | MMP3MMP1MMP9MMP2MMP7 | |
| SCHEMBL13227770 | 0.83 | HDAC7 (0.43) | MMP3MMP1MMP2SPHK1 | |
| SCHEMBL25719293 | 0.83 | HDAC7 (0.43) | MMP3MMP1MMP2SPHK1 | |
| SCHEMBL15267727 | 0.82 | GPR84 (0.42) | MMP3MMP1MMP9GPR84FFAR1 | |
| SCHEMBL17131139 | 0.82 | CA1 (0.52) | GPR84FFAR1 |
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-2010022249-A2 | MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA | ENSEMBLE DISCOVERY CORPORATION (US) | 2010-02-25 | — | — | WO | disclosed |