Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL28277044 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP2A6CA1CA2CA7 | |
| SCHEMBL2151616 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP2A6CA1CA2CA7 | |
| SCHEMBL8923155 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP2A6CA1CA2CA7 | |
| SCHEMBL20325786 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP2A6CA1CA2CA7 | |
| SCHEMBL3345848 | 0.75 | CA1 (0.61) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL678596 | 0.75 | CA1 (0.61) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL7030329 | 0.75 | CA1 (0.61) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL27767248 | 0.74 | ALDH1A1 (0.48) | ALDH1A1CYP2A6CA1CA2CA7 | |
| SCHEMBL28271605 | 0.74 | ALDH1A1 (0.48) | ALDH1A1CYP2A6CA1CA2CA7 | |
| SCHEMBL3229246 | 0.74 | NFE2L2 (0.53) | ALDH1A1CYP2A6CA1CA2CA7 |
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-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |