Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.51 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 1/20 | 0.48 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL7272130 | 0.92 | SPHK1 (0.61) | SPHK1MMP2CTSKDPP7EPHX2 | |
| SCHEMBL17531100 | 0.88 | SPHK1 (0.64) | SPHK1MMP2DPP7EPHX2 | |
| Trifluoroacetic Acid SCHEMBL3587833 | 0.85 | MMP2 (0.52) | OPRK1MMP2ALDH1A1CYP3A4 | |
| SCHEMBL8549002 | 0.83 | SPHK1 (0.57) | SPHK1 | |
| Trifluoroacetic Acid SCHEMBL31151115 | 0.83 | SLC1A1 (0.57) | OPRK1EPHX2ALDH1A1CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL2396342 | 0.81 | ALDH1A1 (0.56) | OPRK1ALDH1A1CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL7101192 | 0.81 | MMP8 (0.53) | OPRK1ALDH1A1CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL9006122 | 0.80 | TLR2 (0.48) | CTSK | |
| SCHEMBL29696219 | 0.80 | SPHK1 (0.55) | SPHK1MMP2DPP7EPHX2 | |
| SCHEMBL27212693 | 0.80 | SPHK1 (0.55) | SPHK1MMP2DPP7EPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4918105-A | Novel compounds with collagenase-inhibiting activity, a process for their preparation and pharmaceutical compositions in which these compounds are present | SA LABORATOIRE ROGER BELLON (FR) | 1990-04-17 | — | — | US | disclosed |