Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.47 |
| ▸ | SERPINE1 | P05121 | 2/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22453584 | 0.89 | HDAC3 (0.44) | HDAC3HDAC11HDAC8HDAC6DEGS1 | |
| SCHEMBL22453088 | 0.81 | DHODH (0.42) | SERPINE1 | |
| SCHEMBL22452558 | 0.81 | KDM4C (0.42) | S1PR1 | |
| SCHEMBL22452774 | 0.81 | MEN1 (0.52) | HDAC3HDAC11HDAC8HDAC6DEGS1 | |
| SCHEMBL22453743 | 0.76 | S1PR1 (0.55) | HDAC3HDAC11HDAC8HDAC6DEGS1 | |
| SCHEMBL22452648 | 0.76 | RAB9A (0.49) | HDAC3HDAC11HDAC8HDAC6DEGS1 | |
| SCHEMBL22452775 | 0.75 | KDM4E (0.42) | DEGS1S1PR1 | |
| SCHEMBL22452929 | 0.73 | HDAC3 (0.62) | HDAC3HDAC11HDAC8HDAC6DEGS1 | |
| SCHEMBL22453293 | 0.72 | PTGES (0.43) | — | |
| SCHEMBL31003876 | 0.71 | KMO (0.50) | SERPINE1S1PR1 |
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-2020190774-A1 | NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS | THE GENERAL HOSPITAL CORPORATION (US) | 2020-09-24 | — | — | WO | disclosed |