Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL499576 | 0.86 | HDAC6 (0.38) | HDAC6HDAC1HDAC2CA14 | |
| SCHEMBL752842 | 0.82 | HDAC6 (0.36) | HDAC6HDAC1HDAC2CA14 | |
| SCHEMBL6811298 | 0.81 | CA14 (0.38) | HDAC6HDAC1HDAC2CA14CA1 | |
| SCHEMBL380215 | 0.80 | HDAC6 (0.43) | HDAC6HDAC1HDAC2CA14 | |
| SCHEMBL2486326 | 0.80 | CA14 (0.37) | HDAC6HDAC1HDAC2CA14 | |
| SCHEMBL8231908 | 0.79 | HDAC6 (0.45) | HDAC6HDAC1HDAC2CA14 | |
| SCHEMBL754492 | 0.79 | HDAC6 (0.33) | HDAC6HDAC1HDAC2 | |
| SCHEMBL2486588 | 0.79 | CA14 (0.42) | HDAC6HDAC1HDAC2CA14CA1 | |
| SCHEMBL6815136 | 0.79 | HDAC6 (0.33) | HDAC6HDAC1HDAC2CA14CA1 | |
| SCHEMBL17747697 | 0.77 | STING1 (0.36) | HDAC6HDAC1HDAC2DGAT1CA14 |
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 |
|---|---|---|---|---|---|---|---|
| US-5856326-A | ANTITUMOR, ANTICANCER AGENTS | MERCK & CO., INC. (US) | 1999-01-05 | — | — | US | disclosed |
| WO-1996030343-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1996-10-03 | — | — | WO | disclosed |