Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA7 | P43166 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MTHFD2 | P13995 | 3/20 | 0.44 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.43 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6558877 | 0.90 | CA1 (0.51) | HPGDALDH1A1CA12CA1CA2 | |
| SCHEMBL12460085 | 0.87 | HPGD (0.55) | HPGDALDH1A1CA12CA1CA2 | |
| SCHEMBL7685753 | 0.84 | ALDH1A1 (0.55) | HPGDALDH1A1CA12CA1CA2 | |
| SCHEMBL8538640 | 0.83 | HPGD (0.62) | HPGDALDH1A1LMNAMTHFD2MAPK1 | |
| SCHEMBL4764024 | 0.81 | HPGD (0.69) | HPGDALDH1A1CA12CA1CA2 | |
| SCHEMBL264516 | 0.81 | HPGD (0.76) | HPGDALDH1A1CA12CA1CA2 | |
| SCHEMBL8314360 | 0.80 | CA12 (0.58) | HPGDALDH1A1CA12CA1CA2 | |
| SCHEMBL1590985 | 0.79 | HPGD (0.80) | HPGDALDH1A1CA12CA1CA2 | |
| SCHEMBL12156421 | 0.79 | HPGD (0.80) | HPGDALDH1A1CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL3562269 | 0.79 | HPGD (0.73) | HPGDALDH1A1CA12CA1CA2 |
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-1436255-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | Aventis Pharmaceuticals, Inc. (US) | 2004-07-14 | — | — | EP | claimed |
| WO-2003024924-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2003-03-27 | — | — | WO | claimed |