Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 6/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | PREP | P48147 | 1/20 | 0.39 |
| ▸ | FAP | Q12884 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5669715 | 0.88 | HDAC3 (0.43) | HDAC3HDAC1HDAC6ALDH1A1HDAC4 | |
| SCHEMBL5667723 | 0.88 | ABL1 (0.44) | HDAC3HDAC1HDAC6ALDH1A1KMT2A | |
| SCHEMBL4383435 | 0.87 | ALDH1A1 (0.42) | HDAC3HDAC1HDAC6ALDH1A1HDAC4 | |
| SCHEMBL4389889 | 0.85 | TSHR (0.50) | HDAC3HDAC1HDAC6ALDH1A1HDAC2 | |
| SCHEMBL5669968 | 0.85 | CYP1A2 (0.41) | HDAC3HDAC1HDAC6ALDH1A1HDAC4 | |
| SCHEMBL2188153 | 0.84 | HDAC3 (0.40) | HDAC3HDAC1HDAC6HDAC4HDAC7 | |
| SCHEMBL4389229 | 0.84 | CYP1A2 (0.40) | HDAC3HDAC1HDAC6ALDH1A1HDAC4 | |
| SCHEMBL5670705 | 0.84 | ALDH1A1 (0.40) | HDAC3HDAC1HDAC6ALDH1A1HDAC4 | |
| SCHEMBL4383973 | 0.83 | EPHX2 (0.45) | ALDH1A1KMT2AMEN1CYP1A2CYP2C19 | |
| SCHEMBL4387739 | 0.83 | ALDH1A1 (0.42) | HDAC3HDAC1HDAC6ALDH1A1HDAC4 |
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-1730128-A1 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2006-12-13 | — | — | EP | claimed |
| WO-2005097765-A1 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2005-10-20 | — | — | WO | claimed |