Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPY1R | P25929 | 1/20 | 0.41 |
| ▸ | NPY2R | P49146 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 4/20 | 0.40 |
| ▸ | DRD5 | P21918 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL10702749 | 0.84 | DRD1 (0.41) | CYP3A4CYP2D6SMN1; SMN2KDM4ENPY1R | |
| SCHEMBL11169289 | 0.82 | CYP3A4 (0.38) | CYP3A4CYP2D6SMN1; SMN2KDM4ENPY1R | |
| Maleic Acid SCHEMBL10700510 | 0.80 | SMN1; SMN2 (0.52) | CYP3A4CYP2D6SMN1; SMN2KDM4ENPY1R | |
| Fumaric Acid SCHEMBL10700517 | 0.80 | SMN1; SMN2 (0.52) | CYP3A4CYP2D6SMN1; SMN2KDM4ENPY1R | |
| Hydrochloric Acid SCHEMBL10345632 | 0.79 | CYP2D6 (0.73) | CYP3A4CYP2D6SMN1; SMN2KDM4EDRD1 | |
| Hydrochloric Acid SCHEMBL10703667 | 0.76 | DRD1 (0.55) | CYP3A4CYP2D6DRD1DRD5DRD2 | |
| SCHEMBL11169440 | 0.75 | KDM4E (0.32) | CYP3A4CYP2D6SMN1; SMN2KDM4ENPY1R | |
| Hydrochloric Acid SCHEMBL10345628 | 0.72 | CYP2D6 (0.61) | CYP3A4CYP2D6SMN1; SMN2KDM4EDRD1 | |
| Oxalic Acid SCHEMBL9797205 | 0.70 | CYP3A4 (0.60) | CYP3A4CYP2D6TRPV1NPC1POLB | |
| Trepipam SCHEMBL29401068 | 0.69 | CYP2D6 (0.82) | CYP3A4CYP2D6SMN1; SMN2KDM4ETRPV1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0285287-A2 | 3-Benzazepine compounds for use in treating gastrointestinal motility disorders | SMITHKLINE BEECHAM CORPORATION (US) | 1988-10-05 | — | — | EP | disclosed |