Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 4/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.40 |
| ▸ | CDK1 | P06493 | 3/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.40 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.40 |
| ▸ | GUSB | P08236 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 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 | |
|---|---|---|---|---|
| SCHEMBL903416 | 0.94 | HTR2A (0.45) | MGLLARHTR2AHTR2CHTR2B | |
| SCHEMBL903529 | 0.90 | AR (0.50) | ARHTR2AHTR2CHTR2BGSK3B | |
| SCHEMBL903532 | 0.83 | DAO (0.38) | MGLLHTR2AHTR2CHTR2BGSK3B | |
| SCHEMBL903542 | 0.80 | ALOX5 (0.48) | HTR2AHTR2CHTR2BGSK3BCCNB2 | |
| SCHEMBL903788 | 0.80 | HTR2A (0.46) | MGLLARHTR2AHTR2CHTR2B | |
| SCHEMBL903408 | 0.78 | AR (0.50) | MGLLARHTR2AHTR2CHTR2B | |
| SCHEMBL15889343 | 0.76 | CCNE1 (0.43) | MGLLARHTR2AHTR2CHTR2B | |
| SCHEMBL15898524 | 0.73 | AR (0.46) | ARHTR2AHTR2CHTR2BGSK3B | |
| SCHEMBL10215238 | 0.72 | AR (0.44) | MGLLARGSK3BCCNB2CDK1 | |
| SCHEMBL903498 | 0.72 | AR (0.50) | ARGSK3BCCNB2CDK1CCNB1 |
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 2 patents. 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 |
| WO-2012040923-A1 | TETRACYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |