Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | TDO2 | P48775 | 2/20 | 0.41 |
| ▸ | 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 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALPG | P10696 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.35 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7798252 | 0.77 | CHRNA7 (0.41) | ALDH1A1LMNASMN1; SMN2ORAI1ORAI2 | |
| SCHEMBL695036 | 0.76 | SRC (0.40) | LMNACES2CES1 | |
| SCHEMBL9157493 | 0.75 | HDAC3 (0.47) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL27845968 | 0.73 | HDAC3 (0.45) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL4454516 | 0.72 | IDO1 (0.44) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL4048358 | 0.71 | IDO1 (0.48) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL27859843 | 0.70 | HDAC3 (0.42) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL11603843 | 0.69 | IDO1 (0.46) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL597442 | 0.69 | IDO1 (0.46) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL7563025 | 0.69 | IDO1 (0.46) | IDO1TDO2HDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2661428-A1 | QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS | Merck Sharp & Dohme Corp. (US) | 2013-11-13 | — | — | EP | disclosed |
| WO-2012087861-A1 | QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-06-28 | — | — | WO | disclosed |