Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 2/20 | 0.32 |
| ▸ | MMP9 | P14780 | 2/20 | 0.32 |
| ▸ | MMP14 | P50281 | 2/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | HTR1E | P28566 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4971712 | 0.98 | MMP2 (0.41) | MMP2CA12CA1CA2CA9 | |
| SCHEMBL4971492 | 0.98 | MMP2 (0.41) | MMP2CA12CA1CA2CA9 | |
| SCHEMBL4973637 | 0.86 | MEN1 (0.31) | EPHX1LMNAEPHX2 | |
| SCHEMBL4975006 | 0.82 | PKM (0.31) | SMN1; SMN2HPGD | |
| SCHEMBL4971779 | 0.80 | EPHX1 (0.41) | MMP2CA12CA1CA2CA9 | |
| SCHEMBL4969967 | 0.77 | GAA (0.41) | CA1CA2EPHX1 | |
| SCHEMBL4975541 | 0.77 | CA12 (0.44) | MMP2CA12CA1CA2CA9 | |
| SCHEMBL4971473 | 0.76 | GAA (0.43) | MMP2CA12CA1CA2CA9 | |
| SCHEMBL4972585 | 0.76 | GAA (0.43) | MMP2CA12CA1CA2CA9 | |
| SCHEMBL26332503 | 0.76 | ALDH1A1 (0.42) | MMP2CA12CA1CA2CA9 |
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-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 |