Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | RABGGTB | P53611 | 1/20 | 0.30 |
| ▸ | RABGGTA | Q92696 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4974681 | 1.00 | ABCG2 (0.34) | ABCG2NR1D1MMP13RABGGTBRABGGTA | |
| SCHEMBL4974691 | 1.00 | ABCG2 (0.34) | ABCG2NR1D1MMP13RABGGTBRABGGTA | |
| SCHEMBL2322332 | 0.93 | ABCG2 (0.34) | ABCG2NR1D1MMP13 | |
| SCHEMBL2322328 | 0.93 | ABCG2 (0.34) | ABCG2NR1D1MMP13 | |
| SCHEMBL2322318 | 0.93 | ABCG2 (0.34) | ABCG2NR1D1MMP13 | |
| SCHEMBL2322323 | 0.93 | ABCG2 (0.34) | ABCG2NR1D1MMP13 | |
| SCHEMBL3604811 | 0.90 | ALDH1A1 (0.36) | — | |
| SCHEMBL3604810 | 0.90 | ALDH1A1 (0.36) | — | |
| SCHEMBL3604807 | 0.90 | ALDH1A1 (0.36) | — | |
| SCHEMBL2327380 | 0.88 | ALDH1A1 (0.34) | MMP13 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2581366-A1 | Renin Inhibitors | Vitae Pharmaceuticals, Inc. (US) | 2013-04-17 | — | — | EP | disclosed |
| EP-2074108-B1 | RENIN INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2012-11-21 | — | — | EP | disclosed |
| EP-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |