Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 3/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL4254991 | 0.85 | IDO1 (0.40) | CA1CA2IDO1AGXTCALM1 | |
| SCHEMBL6273725 | 0.78 | IDO1 (0.55) | CA1CA2IDO1AGXTCALM1 | |
| SCHEMBL4258721 | 0.76 | CA1 (0.54) | CA1CA2IDO1AGXTCALM1 | |
| SCHEMBL4256438 | 0.76 | CA1 (0.54) | CA1CA2IDO1AGXTCALM1 | |
| SCHEMBL4253466 | 0.73 | IDO1 (0.46) | CA1CA2IDO1AGXTCALM1 | |
| SCHEMBL4259907 | 0.72 | CA1 (0.49) | CA1CA2IDO1AGXTCALM1 | |
| SCHEMBL9040284 | 0.72 | IDO1 (0.41) | CA1CA2IDO1AGXTCALM1 | |
| SCHEMBL4253463 | 0.71 | TDP1 (0.49) | CA1CA2IDO1AGXTCALM1 | |
| SCHEMBL4259458 | 0.71 | CA1 (0.44) | CA1CA2IDO1AGXTCALM1 | |
| SCHEMBL4254989 | 0.71 | CA1 (0.44) | CA1CA2IDO1AGXTCALM1 |
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-2009046098-A1 | NOVEL CYCLIC BORONATE INHIBITORS OF HCV REPLICATION | SMITHKLINE BEECHAM CORPORATION (US) | 2009-04-09 | — | — | WO | disclosed |