Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7057953 | 0.79 | ALDH1A1 (0.47) | CYP2D6SIGMAR1HSD17B10ALDH1A1KDM4E | |
| SCHEMBL3198516 | 0.78 | ALDH1A1 (0.62) | ALDH1A1KDM4EHTR1AMEN1KMT2A | |
| SCHEMBL7053668 | 0.78 | HTR1A (0.61) | CYP2D6HSD17B10ALDH1A1KDM4EHTR1A | |
| SCHEMBL3187557 | 0.75 | MEN1 (0.51) | ALDH1A1HTR1AKCNH2MEN1KMT2A | |
| SCHEMBL3200107 | 0.75 | ADRA1B (0.60) | CYP2D6SIGMAR1ALDH1A1KDM4ELMNA | |
| SCHEMBL7052673 | 0.74 | ADRA1B (0.48) | CYP2D6SIGMAR1HSD17B10ALDH1A1KDM4E | |
| SCHEMBL5186020 | 0.74 | KCNH2 (0.51) | ALDH1A1HTR1AKCNH2MEN1KMT2A | |
| SCHEMBL4249377 | 0.74 | ALDH1A1 (0.63) | CYP2D6ALDH1A1KDM4EHTR1AMEN1 | |
| SCHEMBL7055589 | 0.73 | HTR1A (0.52) | CYP2D6HSD17B10ALDH1A1HTR1AMEN1 | |
| Hydrochloric Acid SCHEMBL12099351 | 0.72 | ALDH1A1 (0.62) | CYP2D6ALDH1A1KDM4EHTR1AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003028728-A1 | 4-(4-SUBSTITUTED PIPERAZINYL-1YL)-BUTYLCARBOXAMIDES AS D3 DOPAMINE SUBTYPE SELECTIVE LIGANDS | Richter Gedeon Vegyészeti Gyár Rt. (HU) | 2003-04-10 | — | — | WO | disclosed |