Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL27483504 | 0.84 | PTPN1 (0.45) | PTPN1HTTHDAC3HDAC4HDAC1 | |
| SCHEMBL16055955 | 0.82 | ESR1 (0.46) | ESR1ESR2ALDH1A1LMNA | |
| SCHEMBL12073123 | 0.82 | PTPN1 (0.44) | PTPN1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL16149256 | 0.81 | GABBR2 (0.46) | ESR1ESR2HTTHDAC3HDAC4 | |
| SCHEMBL2002439 | 0.80 | CYP2C19 (0.44) | ESR1ESR2ALDH1A1LMNA | |
| SCHEMBL2739002 | 0.78 | ESR1 (0.42) | ESR1ESR2HTTHDAC3HDAC4 | |
| SCHEMBL9756750 | 0.77 | ESR1 (0.41) | ESR1ESR2HTTHDAC3HDAC4 | |
| SCHEMBL12167815 | 0.75 | ESR1 (0.40) | ESR1ESR2HTTHDAC3HDAC4 | |
| SCHEMBL684103 | 0.75 | ADRB2 (0.49) | ESR1ESR2HTTHDAC3HDAC4 | |
| SCHEMBL684740 | 0.75 | AOC3 (0.40) | ESR1ESR2HTTHDAC3HDAC4 |
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-2008054454-A2 | NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF AS ANTIVIRAL AGENTS | TRANSTECH PHARMA, INC. (US) | 2008-05-08 | — | — | WO | disclosed |