Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.76 |
| ▸ | RAB9A | P51151 | 3/20 | 0.76 |
| ▸ | MEN1 | O00255 | 2/20 | 0.76 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.76 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.76 |
| ▸ | HTT | P42858 | 1/20 | 0.76 |
| ▸ | MAPT | P10636 | 5/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | DRD2 | P14416 | 5/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.53 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL20840889 | 0.89 | NPC1 (0.60) | NPC1RAB9AMEN1CYP2C19KMT2A | |
| SCHEMBL4385569 | 0.88 | DRD2 (0.71) | NPC1RAB9AMEN1CYP2C19KMT2A | |
| SCHEMBL17712729 | 0.87 | HDAC3 (0.69) | NPC1RAB9AMEN1CYP2C19KMT2A | |
| SCHEMBL4199664 | 0.87 | NPC1 (1.00) | NPC1RAB9AMEN1CYP2C19KMT2A | |
| SCHEMBL18758357 | 0.86 | NPC1 (0.58) | NPC1RAB9AMEN1CYP2C19KMT2A | |
| SCHEMBL17713086 | 0.85 | NPC1 (0.56) | NPC1RAB9AMEN1CYP2C19KMT2A | |
| SCHEMBL379199 | 0.85 | NPC1 (0.56) | NPC1RAB9AMEN1CYP2C19KMT2A | |
| SCHEMBL17712975 | 0.85 | NPC1 (0.56) | NPC1RAB9AMEN1CYP2C19KMT2A | |
| SCHEMBL17713006 | 0.84 | NPC1 (0.55) | NPC1RAB9AMEN1CYP2C19KMT2A | |
| SCHEMBL17712844 | 0.84 | HPGD (0.58) | NPC1RAB9AMEN1CYP2C19KMT2A |
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-2017064488-A1 | DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY | INDIVIOR UK LIMITED (GB) | 2017-04-20 | — | — | WO | disclosed |