Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.47 |
| ▸ | KDM4A | O75164 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL22452263 | 0.88 | PDCD1 (0.41) | RPS6KA1IDO1GAACA12CA1 | |
| SCHEMBL31431692 | 0.86 | RPS6KA1 (0.45) | RPS6KA1KDM4AKCNA5CA12CA1 | |
| SCHEMBL29467981 | 0.86 | RPS6KA1 (0.42) | RPS6KA1KDM4AKCNA5IDO1GAA | |
| SCHEMBL14920053 | 0.86 | RPS6KA1 (0.42) | RPS6KA1KDM4AKCNA5IDO1GAA | |
| SCHEMBL19083121 | 0.84 | RPS6KA1 (0.41) | RPS6KA1KDM4AKCNA5RIPK1IDO1 | |
| SCHEMBL30480695 | 0.83 | RPS6KA1 (0.41) | RPS6KA1KDM4AKCNA5IDO1GAA | |
| SCHEMBL28212129 | 0.83 | RPS6KA1 (0.41) | RPS6KA1KDM4AKCNA5IDO1GAA | |
| SCHEMBL12680205 | 0.83 | RPS6KA1 (0.49) | RPS6KA1KDM4AKCNA5RIPK1IDO1 | |
| SCHEMBL12234545 | 0.82 | RPS6KA1 (0.43) | RPS6KA1KDM4AKCNA5IDO1GAA | |
| SCHEMBL22664604 | 0.81 | RPS6KA1 (0.43) | RPS6KA1KDM4AKCNA5CA12CA1 |
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-2017116928-A1 | FUSED TRICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-07-06 | — | — | WO | disclosed |