Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK7 | P49862 | 6/20 | 0.41 |
| ▸ | KLK5 | Q9Y337 | 5/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.36 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3301804 | 1.00 | KLK7 (0.41) | KLK7KLK5CA12CA1CA7 | |
| SCHEMBL3304162 | 0.84 | KLK7 (0.48) | KLK7KLK5CA12CA1CA7 | |
| SCHEMBL3303460 | 0.80 | NFKB1 (0.30) | — | |
| SCHEMBL4429712 | 0.80 | NFKB1 (0.30) | — | |
| SCHEMBL3306620 | 0.80 | NFKB1 (0.30) | — | |
| SCHEMBL13409273 | 0.78 | — | — | |
| SCHEMBL3692487 | 0.76 | NFKB1 (0.32) | — | |
| SCHEMBL3302910 | 0.76 | NFKB1 (0.32) | — | |
| SCHEMBL13391516 | 0.74 | NFKB1 (0.31) | — | |
| SCHEMBL3309464 | 0.74 | PPIA (0.41) | CA12CA1CA7CA14ATM |
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-2134681-A1 | TRANS-ANNULAR REARRANGEMENT OF ACTIVE LACTAMES | Centre National de la Recherche Scientifique (CNRS) (FR) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008125421-A1 | TRANS-ANNULAR REARRANGEMENT OF ACTIVE LACTAMES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2008-10-23 | — | — | WO | disclosed |