Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.41 |
| ▸ | CA1 | P00915 | 7/20 | 0.41 |
| ▸ | CA2 | P00918 | 7/20 | 0.41 |
| ▸ | CA7 | P43166 | 7/20 | 0.41 |
| ▸ | CA9 | Q16790 | 7/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 7/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8545140 | 0.83 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13747016 | 0.77 | ALDH1A1 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8545143 | 0.77 | DAO (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15486125 | 0.75 | ALDH1A1 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14551730 | 0.74 | ALDH1A1 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14551724 | 0.73 | HPGD (0.35) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2160001 | 0.72 | CYP4F2 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7454968 | 0.71 | NPSR1 (0.51) | HPGDALDH1A1MAPK1HSD17B10ADRA2C | |
| SCHEMBL1310602 | 0.71 | ALDH1A1 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13871631 | 0.71 | MAPK1 (0.49) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104583204-A | Process for the synthesis of substituted gamma lactams | ALLERGAN INC | 2015-04-29 | — | — | CN | disclosed |