Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1137096 | 0.78 | SMN1; SMN2 (0.49) | SMN1; SMN2CA1CA2CA9CA12 | |
| SCHEMBL3064009 | 0.72 | SMN1; SMN2 (0.55) | SMN1; SMN2CYP11B1CYP11B2GAAALDH1A1 | |
| SCHEMBL28770585 | 0.71 | CYP17A1 (0.46) | SMN1; SMN2CA1CA2CA9CA12 | |
| SCHEMBL567898 | 0.70 | CCNC (0.34) | ERN1FFAR2 | |
| SCHEMBL477560 | 0.67 | IDO1 (0.50) | SMN1; SMN2CA1CA2CA9CA12 | |
| SCHEMBL17447728 | 0.67 | IDO1 (0.50) | SMN1; SMN2CA1CA2CA9CA12 | |
| SCHEMBL3862491 | 0.67 | IDO1 (0.50) | SMN1; SMN2CA1CA2CA9CA12 | |
| SCHEMBL27773753 | 0.67 | CTRC (0.39) | CA1CA2CA9CA12CA14 | |
| SCHEMBL9789839 | 0.66 | LMNA (0.46) | SMN1; SMN2GAAALDH1A1MEN1MAPT | |
| SCHEMBL14568139 | 0.65 | SMN1; SMN2 (0.44) | SMN1; SMN2CYP11B1CYP11B2GAAALDH1A1 |
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-101516369-A | Pyridinone diketo acids: inhibitors of HIV replication in combination therapy | UNIV GEORGIA (US) | 2009-08-26 | — | — | CN | disclosed |