Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 5/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | MCHR2 | Q969V1 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | 0.85 | HDAC3 (0.43) | HDAC3HDAC1HDAC6MCHR1HDAC4 | |
| SCHEMBL5667971 | 0.84 | HDAC3 (0.41) | HDAC3HDAC1HDAC6HDAC4HDAC7 | |
| SCHEMBL5667723 | 0.84 | ABL1 (0.44) | HDAC3HDAC1HDAC6MEN1KMT2A | |
| SCHEMBL5669968 | 0.83 | CYP1A2 (0.41) | HDAC3HDAC1HDAC6MCHR1HDAC4 | |
| SCHEMBL4389889 | 0.82 | TSHR (0.50) | HDAC3HDAC1HDAC6HDAC2MEN1 | |
| SCHEMBL4389229 | 0.81 | CYP1A2 (0.40) | HDAC3HDAC1HDAC6MCHR1HDAC4 | |
| SCHEMBL5667982 | 0.81 | KDM4E (0.47) | MEN1KMT2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2172869 | 0.79 | CYP1A2 (0.43) | MEN1KMT2ACYP1A2POLBCYP3A4 | |
| SCHEMBL4388201 | 0.79 | CYP1A2 (0.39) | HDAC3HDAC1HDAC6MCHR1HDAC4 | |
| SCHEMBL2173905 | 0.79 | SHMT2 (0.43) | HDAC3HDAC1HDAC6MCHR1HDAC4 |
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-7973061-B2 | Anaplastic lymphoma kinase modulators and methods of use | EXELIXIS, INC. (US) | 2011-07-05 | — | — | US | disclosed |