Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.58 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9492626 | 0.91 | NPC1 (0.68) | NPC1RAB9ASMN1; SMN2HDAC3HDAC1 | |
| SCHEMBL10085277 | 0.86 | SMN1; SMN2 (0.73) | NPC1RAB9ASMN1; SMN2HDAC3HDAC1 | |
| SCHEMBL7055005 | 0.86 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2HDAC3HDAC1 | |
| SCHEMBL19254325 | 0.85 | SMN1; SMN2 (0.71) | NPC1RAB9ASMN1; SMN2HDAC3HDAC1 | |
| SCHEMBL19254326 | 0.85 | SMN1; SMN2 (0.71) | NPC1RAB9ASMN1; SMN2HDAC3HDAC1 | |
| SCHEMBL13763462 | 0.85 | SMN1; SMN2 (0.71) | NPC1RAB9ASMN1; SMN2HDAC3HDAC1 | |
| SCHEMBL14679382 | 0.85 | HDAC3 (0.62) | NPC1RAB9ASMN1; SMN2HDAC3HDAC1 | |
| SCHEMBL19124111 | 0.85 | SMN1; SMN2 (0.71) | NPC1RAB9ASMN1; SMN2HDAC3HDAC1 | |
| SCHEMBL842634 | 0.84 | SMN1; SMN2 (0.81) | NPC1RAB9ASMN1; SMN2HDAC3HDAC1 | |
| SCHEMBL14679386 | 0.84 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2HDAC3HDAC1 |
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 |