Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 7/20 | 0.43 |
| ▸ | MAOA | P21397 | 6/20 | 0.43 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | SLC26A4 | O43511 | 1/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 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 | |
|---|---|---|---|---|
| SCHEMBL7222605 | 0.91 | MAOB (0.44) | MAOBMAOAKDM5AKDM5BNR4A2 | |
| SCHEMBL7218066 | 0.90 | NPC1 (0.41) | NPC1RAB9AKMT2AMEN1HSP90AA1 | |
| SCHEMBL7218316 | 0.89 | NR4A2 (0.47) | NPC1RAB9AMAOBMAOANR4A2 | |
| SCHEMBL7218242 | 0.87 | NPC1 (0.37) | NPC1RAB9AKMT2AMEN1HSP90AA1 | |
| SCHEMBL7222803 | 0.85 | NPC1 (0.38) | NPC1RAB9AKMT2AMEN1HSP90AA1 | |
| SCHEMBL7215817 | 0.85 | NPC1 (0.38) | NPC1RAB9AKMT2AMEN1HSP90AA1 | |
| SCHEMBL7222229 | 0.84 | S1PR1 (0.40) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL7216612 | 0.84 | MAOB (0.43) | NPC1RAB9AMAOBMAOANR4A2 | |
| SCHEMBL7222460 | 0.84 | MRGPRX4 (0.47) | NPC1RAB9AMAOB | |
| SCHEMBL7222083 | 0.83 | MRGPRX4 (0.46) | NPC1RAB9AMAOBMAOAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6627651-B1 | Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-30 | — | — | US | disclosed |
| EP-1182195-A1 | CYCLIC COMPOUNDS AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-02-27 | — | — | EP | disclosed |