Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | VNN1 | O95497 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL16380712 | 0.88 | MAOB (0.47) | MAOBEPHX2ARSLC6A2SLC6A4 | |
| SCHEMBL4284243 | 0.86 | MAOB (0.49) | MAOBAKR1C3AKR1C2MAPK1AR | |
| SCHEMBL6293963 | 0.84 | ALDH1A1 (0.46) | EPHX2AKR1C3AKR1C2KMT2A | |
| SCHEMBL14235584 | 0.84 | HSP90AA1 (0.44) | EPHX2MAPK1SLC6A2SLC6A4PARP10 | |
| SCHEMBL16380698 | 0.84 | SLC6A2 (0.54) | MAOBEPHX2ARSLC6A2SLC6A4 | |
| SCHEMBL403117 | 0.84 | PDE3B (0.43) | MAOBEPHX2AKR1C3AKR1C2AR | |
| Benzene SCHEMBL27710673 | 0.83 | MAOB (0.47) | MAOBEPHX2AKR1C3AKR1C2HDAC6 | |
| SCHEMBL7951803 | 0.83 | EPHX2 (0.43) | MAOBEPHX2HDAC6 | |
| SCHEMBL16951384 | 0.82 | EPHX2 (0.41) | MAOBEPHX2HDAC6 | |
| SCHEMBL23967939 | 0.81 | KIF11 (0.41) | MAOBEPHX2HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021163254-A1 | HETEROCYCLIC PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-08-19 | — | — | WO | disclosed |
| WO-2009133831-A1 | PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF | 旭化成ファーマ株式会社 (JP) | 2009-11-05 | — | — | WO | disclosed |