Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 5/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | CPA1 | P15085 | 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 | |
|---|---|---|---|---|
| SCHEMBL7215895 | 0.88 | MAOB (0.49) | MAOBGSK3BBACE1NPC1RAB9A | |
| SCHEMBL7222742 | 0.86 | MAOB (0.52) | MAOBNPC1RAB9AL3MBTL1KDM4E | |
| SCHEMBL7221736 | 0.84 | NPC1 (0.44) | MAOBNPC1RAB9AL3MBTL1SCN9A | |
| SCHEMBL7222844 | 0.81 | MAPT (0.53) | MAOBNPC1RAB9AL3MBTL1KDM4E | |
| SCHEMBL7218045 | 0.80 | MAOB (0.55) | MAOBNPC1RAB9AL3MBTL1KDM4E | |
| SCHEMBL7216351 | 0.79 | NPC1 (0.50) | MAOBNPC1RAB9AL3MBTL1PPARA | |
| SCHEMBL7221550 | 0.78 | NPC1 (0.45) | MAOBNPC1RAB9AL3MBTL1ADAM17 | |
| SCHEMBL7218351 | 0.78 | CA12 (0.52) | NPC1RAB9AL3MBTL1KDM4EALDH1A1 | |
| SCHEMBL7222970 | 0.77 | MAPT (0.52) | MAOBNPC1RAB9AL3MBTL1KDM4E | |
| SCHEMBL7216065 | 0.75 | PARP10 (0.47) | MAOBNPC1RAB9AL3MBTL1ADAM17 |
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 |