Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | MGLL | Q99685 | 2/20 | 0.44 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.39 |
| ▸ | CDK1 | P06493 | 3/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.39 |
| ▸ | GSK3B | P49841 | 3/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.39 |
| ▸ | GUSB | P08236 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA6 | P23280 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL903408 | 0.92 | AR (0.50) | HTR2AHTR2CHTR2BMGLLAR | |
| SCHEMBL903416 | 0.86 | HTR2A (0.45) | HTR2AHTR2CHTR2BMGLLMAP4K1 | |
| SCHEMBL10215238 | 0.83 | AR (0.44) | MGLLARCCNB2CDK1CCNB1 | |
| SCHEMBL903701 | 0.82 | CA12 (0.40) | HTR2CHTR2BMGLLDAOCCNB2 | |
| SCHEMBL903535 | 0.80 | MGLL (0.46) | HTR2AHTR2CHTR2BMGLLMAP4K1 | |
| SCHEMBL15898168 | 0.78 | DAO (0.45) | HTR2AHTR2CHTR2BMGLLMAP4K1 | |
| SCHEMBL14765050 | 0.75 | CA1 (0.44) | ARCCNB2CDK1CCNB1GSK3B | |
| SCHEMBL903529 | 0.74 | AR (0.50) | HTR2AHTR2CHTR2BARCCNB2 | |
| SCHEMBL903498 | 0.74 | AR (0.50) | ARCCNB2CDK1CCNB1GSK3B | |
| SCHEMBL29923100 | 0.73 | CHUK (0.53) | HTR2AHTR2CHTR2BMGLLMAP4K1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018032468-A1 | HETEROCYCLE-SUBSTITUED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2018-02-22 | — | — | WO | disclosed |
| WO-2018035005-A1 | HETEROCYCLE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2018-02-22 | — | — | WO | disclosed |
| WO-2012041014-A1 | TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |