Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 2/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL903788 | 0.82 | HTR2A (0.46) | CA12CA9DAOMGLLLMNA | |
| SCHEMBL903408 | 0.74 | AR (0.50) | DAOMGLLLMNACA1CA2 | |
| SCHEMBL20685570 | 0.73 | CHUK (0.53) | CA12CA9LMNAKDM4EGAA | |
| SCHEMBL903416 | 0.69 | HTR2A (0.45) | CA12CA9DAOMGLLLMNA | |
| SCHEMBL10215238 | 0.69 | AR (0.44) | MGLLLMNAKDM4ECA1CA2 | |
| SCHEMBL13191157 | 0.67 | NR1I2 (0.40) | — | |
| SCHEMBL15898168 | 0.67 | DAO (0.45) | CA12CA9DAOMGLLLMNA | |
| SCHEMBL25245075 | 0.66 | LMNA (0.50) | CA12CA9LMNAKDM4EGAA | |
| SCHEMBL11330988 | 0.66 | MAOA (0.44) | LMNAKDM4EGAAPTGS2MEN1 | |
| SCHEMBL10215057 | 0.66 | KIF11 (0.37) | DAOLMNAKDM4EMEN1KMT2A |
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-2012041014-A1 | TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |