Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7327875 | 0.79 | KMT2A (0.39) | SMN1; SMN2ESR1KDM4ECDK1ALDH1A1 | |
| SCHEMBL19211610 | 0.77 | SMN1; SMN2 (0.46) | SMN1; SMN2TDP1KDM4ECDK1ALDH1A1 | |
| SCHEMBL8684974 | 0.76 | SMN1; SMN2 (0.44) | SMN1; SMN2TDP1KDM4ECDK1ALDH1A1 | |
| SCHEMBL19211596 | 0.76 | SMN1; SMN2 (0.44) | SMN1; SMN2TDP1KDM4EALDH1A1GAA | |
| SCHEMBL13215874 | 0.74 | SMN1; SMN2 (0.43) | SMN1; SMN2TDP1KDM4ECDK1ALDH1A1 | |
| SCHEMBL2964830 | 0.74 | SMN1; SMN2 (0.43) | SMN1; SMN2TDP1KDM4EALDH1A1GAA | |
| SCHEMBL7327731 | 0.73 | CYP4A11 (0.43) | SMN1; SMN2TDP1KDM4ECDK1ALDH1A1 | |
| SCHEMBL9868368 | 0.73 | SMN1; SMN2 (0.43) | SMN1; SMN2TDP1CDK1ALDH1A1MAPK1 | |
| SCHEMBL7325840 | 0.72 | SMN1; SMN2 (0.42) | SMN1; SMN2TDP1KDM4EALDH1A1GAA | |
| SCHEMBL7329867 | 0.71 | SMN1; SMN2 (0.40) | SMN1; SMN2TDP1KDM4EALDH1A1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4924010-A | GASTROINTESTINAL DISORDERS | RORER PHARMACEUTICAL CORPORATION (US) | 1990-05-08 | — | — | US | disclosed |
| US-4859683-A | Certain benzoxepins and their pharmaceutical compositions and methods | RORER PHARMACEUTICAL CORPORATION (US) | 1989-08-22 | — | — | US | disclosed |
| US-4857517-A | Quinuclidyl benzoxepins as 5-HT3 antagonists | RORER PHARMACEUTICAL CORPORATION (US) | 1989-08-15 | — | — | US | disclosed |