Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | DRD4 | P21917 | 8/20 | 0.62 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.62 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.62 |
| ▸ | FAAH | O00519 | 1/20 | 0.61 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 5/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.57 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.57 |
| ▸ | RELA | Q04206 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL29818792 | 1.00 | NPC1 (0.62) | NPC1MAPTDRD4SLC6A12SLC6A13 | |
| SCHEMBL2753551 | 0.98 | DRD4 (0.64) | NPC1MAPTDRD4SLC6A12SLC6A13 | |
| SCHEMBL28658639 | 0.94 | NPC1 (0.65) | NPC1RAB9APKMHPGDSMN1; SMN2 | |
| SCHEMBL29380975 | 0.94 | NPC1 (0.65) | NPC1RAB9APKMHPGDSMN1; SMN2 | |
| SCHEMBL127203 | 0.94 | NPC1 (0.65) | NPC1RAB9APKMHPGDSMN1; SMN2 | |
| SCHEMBL124356 | 0.94 | NPC1 (0.65) | NPC1RAB9APKMHPGDSMN1; SMN2 | |
| SCHEMBL517344 | 0.94 | NPC1 (0.65) | NPC1RAB9APKMHPGDSMN1; SMN2 | |
| SCHEMBL517341 | 0.92 | NPC1 (0.63) | NPC1RAB9AHPGDSMN1; SMN2CYP1A2 | |
| SCHEMBL28975684 | 0.92 | DRD4 (0.67) | NPC1DRD4SLC6A12SLC6A13RAB9A | |
| SCHEMBL518025 | 0.92 | SMYD3 (0.63) | NPC1RAB9APKMHPGDSMN1; SMN2 |
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-2010025235-A1 | SELECTIVE LIGANDS FOR THE DOPAMINE 3 (D3) RECEPTOR AND METHODS OF USING THE SAME | REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2010-03-04 | — | — | WO | disclosed |