Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | TNF | P01375 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23959931 | 1.00 | HDAC6 (0.56) | HDAC6TSHRMAPK1TNFKDM4E | |
| SCHEMBL4728366 | 0.89 | HDAC6 (0.59) | HDAC6TSHRMAPK1TNFKDM4E | |
| SCHEMBL31605145 | 0.82 | HDAC6 (0.51) | HDAC6TSHRMAPK1TNFKDM4E | |
| SCHEMBL19645655 | 0.80 | HDAC6 (0.51) | HDAC6TSHRMAPK1TNFKDM4E | |
| SCHEMBL4782862 | 0.80 | HDAC6 (0.51) | HDAC6TSHRMAPK1TNFKDM4E | |
| SCHEMBL24165356 | 0.79 | HDAC6 (0.49) | HDAC6TSHRMAPK1TNFKDM4E | |
| SCHEMBL24166144 | 0.78 | HDAC6 (0.49) | HDAC6TSHRMAPK1TNFKDM4E | |
| SCHEMBL1550700 | 0.78 | HDAC6 (0.64) | HDAC6TNFHDAC3HDAC4HDAC1 | |
| SCHEMBL19645642 | 0.77 | HDAC6 (0.52) | HDAC6TSHRMAPK1TNFKDM4E | |
| SCHEMBL22323913 | 0.77 | HDAC6 (0.48) | HDAC6TSHRMAPK1TNFKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-9827248-B2 | Therapeutic compounds and uses thereof | KALA PHARMACEUTICALS, INC. (US) | 2017-11-28 | — | — | US | disclosed |