Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 3/20 | 0.41 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6996421 | 0.86 | PARP1 (0.48) | ALOX5SMYD3PARP1 | |
| SCHEMBL6996415 | 0.86 | PARP1 (0.48) | ALOX5SMYD3PARP1 | |
| SCHEMBL7710955 | 0.79 | MAOA (0.40) | ALOX5KDM4EALDH1A1MAOBPARP1 | |
| SCHEMBL6994006 | 0.77 | ALOX5 (0.36) | ALOX5KDM4EPARP1 | |
| SCHEMBL6992815 | 0.76 | PARP1 (0.48) | ALOX5PELI1SMYD3MAOBPARP1 | |
| SCHEMBL6992811 | 0.76 | PARP1 (0.48) | ALOX5PELI1SMYD3MAOBPARP1 | |
| SCHEMBL8119255 | 0.75 | PARP1 (0.43) | ALOX5SMYD3PARP1 | |
| SCHEMBL531954 | 0.74 | ALOX5 (0.55) | ALOX5HDAC1SMYD3KDM4EALDH1A1 | |
| SCHEMBL531955 | 0.74 | ALOX5 (0.55) | ALOX5HDAC1SMYD3KDM4EALDH1A1 | |
| SCHEMBL7000474 | 0.72 | PARP1 (0.37) | SMYD3KDM4EALDH1A1PARP1MEN1 |
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-1015437-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AG (DE) | 2003-12-03 | — | — | EP | disclosed |
| US-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |