Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.55 |
| ▸ | MAOA | P21397 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | RXRB | P28702 | 4/20 | 0.48 |
| ▸ | RXRA | P19793 | 3/20 | 0.48 |
| ▸ | RXRG | P48443 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CCR5 | P51681 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7222742 | 0.91 | MAOB (0.52) | MAOBMAOANPC1RAB9AL3MBTL1 | |
| SCHEMBL7216351 | 0.90 | NPC1 (0.50) | MAOBMAOANPC1RAB9AL3MBTL1 | |
| SCHEMBL7222844 | 0.90 | MAPT (0.53) | MAOBMAOANPC1RAB9AL3MBTL1 | |
| SCHEMBL7222242 | 0.89 | MAOB (0.57) | MAOBMAOANPC1RAB9AL3MBTL1 | |
| SCHEMBL7222970 | 0.88 | MAPT (0.52) | MAOBMAOANPC1RAB9AL3MBTL1 | |
| SCHEMBL7221550 | 0.83 | NPC1 (0.45) | MAOBMAOANPC1RAB9AL3MBTL1 | |
| SCHEMBL7218351 | 0.81 | CA12 (0.52) | NPC1RAB9AL3MBTL1ALDH1A1MEN1 | |
| SCHEMBL7221736 | 0.81 | NPC1 (0.44) | MAOBMAOANPC1RAB9AL3MBTL1 | |
| SCHEMBL7215867 | 0.80 | MAOB (0.49) | MAOBMAOANPC1RAB9AL3MBTL1 | |
| SCHEMBL7222036 | 0.79 | NPC1 (0.55) | MAOBMAOANPC1RAB9AL3MBTL1 |
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 |