Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 7/20 | 0.45 |
| ▸ | PTGER1 | P34995 | 3/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | RXRA | P19793 | 2/20 | 0.43 |
| ▸ | RXRG | P48443 | 2/20 | 0.43 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7215867 | 0.88 | MAOB (0.49) | MAOBGSK3BBACE1FFAR4PTGER1 | |
| SCHEMBL7218008 | 0.85 | RXRB (0.57) | MAOBRXRBNPC1RAB9ARXRA | |
| SCHEMBL7216413 | 0.83 | NPC1 (0.46) | MAOBRXRBNPC1RAB9ARXRA | |
| SCHEMBL7216359 | 0.80 | NPC1 (0.56) | MAOBRXRBNPC1RAB9ARXRA | |
| SCHEMBL7222242 | 0.77 | MAOB (0.57) | MAOBRXRBNPC1RAB9ARXRA | |
| SCHEMBL7216468 | 0.77 | RXRB (0.47) | MAOBFFAR4PPARARXRBNPC1 | |
| SCHEMBL7222385 | 0.76 | NPC1 (0.55) | MAOBFFAR4RXRBNPC1RAB9A | |
| SCHEMBL7222036 | 0.76 | NPC1 (0.55) | MAOBRXRBNPC1RAB9ARXRA | |
| SCHEMBL7218088 | 0.74 | PARP10 (0.46) | MAOBRXRBNPC1RAB9ARXRA | |
| SCHEMBL7222742 | 0.73 | MAOB (0.52) | MAOBRXRBNPC1RAB9ARXRA |
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 |