Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 7/20 | 0.45 |
| ▸ | NCOR2 | Q9Y618 | 6/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | INSR | P06213 | 1/20 | 0.39 |
| ▸ | IGF1R | P08069 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6659312 | 1.00 | HDAC3 (0.45) | HDAC3NCOR2HDAC2THRATHRB | |
| SCHEMBL6659899 | 0.91 | HDAC3 (0.42) | HDAC3NCOR2HDAC2THRATHRB | |
| SCHEMBL6659903 | 0.91 | HDAC3 (0.42) | HDAC3NCOR2HDAC2THRATHRB | |
| SCHEMBL7089445 | 0.88 | HDAC3 (0.48) | HDAC3NCOR2HDAC2THRATHRB | |
| SCHEMBL7089449 | 0.88 | HDAC3 (0.48) | HDAC3NCOR2HDAC2THRATHRB | |
| SCHEMBL7092254 | 0.81 | HDAC3 (0.44) | HDAC3NCOR2HDAC2THRATHRB | |
| SCHEMBL7092561 | 0.80 | HDAC3 (0.44) | HDAC3NCOR2HDAC2THRATHRB | |
| SCHEMBL7136710 | 0.80 | HDAC3 (0.44) | HDAC3NCOR2HDAC2THRATHRB | |
| SCHEMBL6658567 | 0.80 | CA1 (0.45) | HDAC3NCOR2HDAC2HDAC1HDAC6 | |
| SCHEMBL7089006 | 0.80 | HDAC3 (0.45) | HDAC3NCOR2HDAC2THRATHRB |
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-2004012506-A2 | ANTIMICROBIAL COMPOUNDS | EXEGENICS, INC. (US) | 2004-02-12 | — | — | WO | claimed |
| WO-2004012506-A2 | ANTIMICROBIAL COMPOUNDS | EXEGENICS, INC. (US) | 2004-02-12 | — | — | WO | disclosed |