Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 6/20 | 0.54 |
| ▸ | MMP3 | P08254 | 6/20 | 0.54 |
| ▸ | MMP2 | P08253 | 6/20 | 0.54 |
| ▸ | MMP9 | P14780 | 6/20 | 0.54 |
| ▸ | MMP14 | P50281 | 5/20 | 0.54 |
| ▸ | TACR3 | P29371 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.47 |
| ▸ | GLS | O94925 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13956904 | 1.00 | MMP1 (0.54) | MMP1MMP3MMP2MMP9MMP14 | |
| SCHEMBL13649413 | 1.00 | MMP1 (0.54) | MMP1MMP3MMP2MMP9MMP14 | |
| SCHEMBL13684445 | 0.84 | GPR88 (0.49) | MMP1MMP3MMP2MMP9MMP14 | |
| SCHEMBL4250144 | 0.82 | SRC (0.52) | LMNAPOLBKMT2AMTNR1AMTNR1B | |
| SCHEMBL627377 | 0.82 | SRC (0.52) | LMNAPOLBKMT2AMTNR1AMTNR1B | |
| SCHEMBL15028526 | 0.82 | LMNA (0.53) | MMP1MMP3MMP2MMP9MMP14 | |
| SCHEMBL890060 | 0.82 | TACR3 (0.48) | TACR3POLBGLSKMT2ANAPRT | |
| SCHEMBL3376625 | 0.82 | SRC (0.52) | LMNAPOLBKMT2AMTNR1AMTNR1B | |
| SCHEMBL12463242 | 0.82 | LMNA (0.53) | MMP1MMP3MMP2MMP9MMP14 | |
| SCHEMBL18610229 | 0.82 | TACR3 (0.48) | TACR3POLBGLSKMT2ANAPRT |
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-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |