Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23865769 | 0.83 | CA1 (0.41) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL18563091 | 0.75 | CA2 (0.35) | CA1CA12CA2CA7CA14 | |
| SCHEMBL20376269 | 0.73 | TP53 (0.43) | CA1CA12CA2CA7CA14 | |
| SCHEMBL20170513 | 0.71 | TP53 (0.42) | CA1CA12CA2CA7CA14 | |
| SCHEMBL6421475 | 0.70 | HTR2A (0.32) | — | |
| SCHEMBL8812287 | 0.68 | CA1 (0.46) | HDAC1HDAC2CA1CA12CA2 | |
| SCHEMBL10870215 | 0.67 | EPHX1 (0.48) | CA1CA2EPHX1 | |
| SCHEMBL20204682 | 0.67 | TP53 (0.46) | CA1CA12CA2CA7CA14 | |
| SCHEMBL13875734 | 0.66 | EPHX1 (0.39) | CA1CA12CA2CA7CA14 | |
| SCHEMBL11402838 | 0.65 | TP53 (0.45) | CA1CA12CA2CA7CA14 |
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-2018093696-A1 | INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | WO | disclosed |