Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 2/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL903535 | 0.83 | MGLL (0.46) | DAOCCNB2CDK1CCNB1GSK3A | |
| SCHEMBL903416 | 0.81 | HTR2A (0.45) | DAOCCNB2CDK1CCNB1GSK3B | |
| SCHEMBL903542 | 0.80 | ALOX5 (0.48) | CCNB2CDK1CCNB1FLT3GSK3A | |
| SCHEMBL903529 | 0.72 | AR (0.50) | CCNB2CDK1CCNB1FLT3GSK3A | |
| SCHEMBL903527 | 0.70 | ALDH1A1 (0.46) | DAOALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL903534 | 0.69 | ALOX5 (0.53) | CCNB2CDK1CCNB1GSK3AGSK3B | |
| SCHEMBL15889343 | 0.68 | CCNE1 (0.43) | DAOCDK1CCNB1CCNT1CCNE1 | |
| SCHEMBL10215057 | 0.67 | KIF11 (0.37) | DAOCCNB2CDK1CCNB1GSK3B | |
| SCHEMBL29090072 | 0.66 | CA1 (0.44) | CCNB2CDK1CCNB1GSK3AGSK3B | |
| SCHEMBL903788 | 0.66 | HTR2A (0.46) | DAOCCNB2CDK1CCNB1GSK3B |
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 |