Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7014766 | 1.00 | NPC1 (0.58) | NPC1RAB9ARXFP1ADORA2AMAOB | |
| SCHEMBL7012659 | 0.89 | NPC1 (0.46) | NPC1RAB9ARXFP1ADORA2AMAOB | |
| SCHEMBL7012661 | 0.89 | NPC1 (0.46) | NPC1RAB9ARXFP1ADORA2AMAOB | |
| SCHEMBL7012937 | 0.87 | NPC1 (0.44) | NPC1RAB9ARXFP1ADORA2AMAOB | |
| SCHEMBL7011884 | 0.87 | NPC1 (0.44) | NPC1RAB9ARXFP1TP53MAPT | |
| SCHEMBL7011887 | 0.87 | NPC1 (0.44) | NPC1RAB9ARXFP1TP53MAPT | |
| SCHEMBL7017331 | 0.78 | NPC1 (0.44) | NPC1RAB9ARXFP1TP53MAPT | |
| SCHEMBL7012252 | 0.78 | NPC1 (0.37) | NPC1RAB9ARXFP1TP53MAPT | |
| SCHEMBL7017333 | 0.78 | NPC1 (0.44) | NPC1RAB9ARXFP1TP53MAPT | |
| SCHEMBL7012253 | 0.78 | NPC1 (0.37) | NPC1RAB9ARXFP1TP53MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0733633-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |