Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | F13A1 | P00488 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7234126 | 0.82 | CYP1A2 (0.43) | PARP1L3MBTL1THRBHPGDMEN1 | |
| SCHEMBL6975291 | 0.78 | F13A1 (0.36) | F13A1SMN1; SMN2L3MBTL1THRBHPGD | |
| SCHEMBL22614890 | 0.74 | GPR35 (0.47) | HDAC3MAPK1ADRA1AHDAC4SLC6A3 | |
| SCHEMBL15173464 | 0.73 | ALDH1A1 (0.42) | MEN1KMT2AALDH1A1 | |
| SCHEMBL29610691 | 0.72 | FBP1 (0.41) | F13A1HDAC3MAPK1ADRA1AHDAC4 | |
| SCHEMBL4659158 | 0.72 | CYSLTR2 (0.46) | HDAC3MAPK1ADRA1AHDAC4SLC6A3 | |
| SCHEMBL7820610 | 0.71 | CYP1A2 (0.50) | F13A1HDAC3MAPK1ADRA1AHDAC4 | |
| SCHEMBL2492917 | 0.71 | ALDH1A1 (0.41) | F13A1HDAC3MAPK1ADRA1AHDAC4 | |
| SCHEMBL4656911 | 0.69 | CYSLTR2 (0.43) | HDAC3MAPK1ADRA1AHDAC4SLC6A3 | |
| SCHEMBL4657892 | 0.69 | ALDH1A1 (0.53) | HDAC3MAPK1ADRA1AHDAC4SLC6A3 |
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-1272487-A1 | BICYCLIC HETEROARYL COMPOUNDS AS INHIBITORS OF THE INTERACTION BETWEEN THE INTEGRIN ALPHA4BETA1 RECEPTOR AND VCAM-1 AND/OR FIBRONECTIN | AstraZeneca AB (SE) | 2003-01-08 | — | — | EP | disclosed |
| WO-2001053295-A1 | BICYCLIC HETEROARYL COMPOUNDS AS INHIBITORS OF THE INTERACTION BETWEEN THE INTEGRIN ALPHA4BETA1 RECEPTOR AND VCAM-1 AND/OR FIBRONECTIN | ASTRAZENECA AB (SE) | 2001-07-26 | — | — | WO | disclosed |