Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.56 |
| ▸ | RAB9A | P51151 | 6/20 | 0.56 |
| ▸ | RXRB | P28702 | 4/20 | 0.56 |
| ▸ | RXRA | P19793 | 3/20 | 0.56 |
| ▸ | RXRG | P48443 | 3/20 | 0.56 |
| ▸ | MAOA | P21397 | 3/20 | 0.56 |
| ▸ | MAOB | P27338 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | GFER | P55789 | 1/20 | 0.56 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.56 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.56 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7222385 | 0.93 | NPC1 (0.55) | NPC1RAB9ARXRBRXRARXRG | |
| SCHEMBL7218008 | 0.90 | RXRB (0.57) | NPC1RAB9ARXRBRXRARXRG | |
| SCHEMBL7222242 | 0.89 | MAOB (0.57) | NPC1RAB9ARXRBRXRARXRG | |
| SCHEMBL7222844 | 0.88 | MAPT (0.53) | NPC1RAB9ARXRBRXRARXRG | |
| SCHEMBL7222036 | 0.88 | NPC1 (0.55) | NPC1RAB9ARXRBRXRARXRG | |
| SCHEMBL7216468 | 0.84 | RXRB (0.47) | NPC1RAB9ARXRBRXRARXRG | |
| SCHEMBL9620847 | 0.84 | RXRB (0.47) | NPC1RAB9ARXRBRXRARXRG | |
| SCHEMBL7216413 | 0.83 | NPC1 (0.46) | NPC1RAB9ARXRBRXRARXRG | |
| SCHEMBL7222970 | 0.82 | MAPT (0.52) | NPC1RAB9ARXRBRXRARXRG | |
| SCHEMBL8064409 | 0.82 | MAOB (0.51) | NPC1RAB9ARXRBRXRARXRG |
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 |