Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.42 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL484852 | 0.88 | ACHE (0.54) | PDPK1SLC6A4SLC6A2SLC6A3ACHE | |
| SCHEMBL8181063 | 0.84 | ALDH1A1 (0.45) | SLC6A4SLC6A2SLC6A3ALDH1A1CA12 | |
| SCHEMBL12723666 | 0.79 | GRIA2 (0.47) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL803438 | 0.78 | PDE4A (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL785070 | 0.78 | CA12 (0.43) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL785709 | 0.78 | CA12 (0.43) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL30809669 | 0.78 | PDE4A (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8225460 | 0.78 | PDE4A (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21178500 | 0.78 | PDE4A (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL38660582 | 0.77 | SRD5A2 (0.43) | ALDH1A1CA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006128184-A2 | PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS | ALANTOS-PHARMACEUTICALS, INC. (US) | 2006-11-30 | — | — | WO | disclosed |