Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.52 |
| ▸ | CCR2 | P41597 | 3/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL314845 | 0.79 | CCR2 (0.65) | CCR5CCR2HDAC1MAPTKDM4E | |
| SCHEMBL13163598 | 0.79 | HDAC1 (0.49) | CCR5CCR2HDAC1ALDH1A1HRH4 | |
| SCHEMBL13163590 | 0.78 | HDAC1 (0.47) | CCR5CCR2HDAC1ALDH1A1HRH4 | |
| SCHEMBL17571818 | 0.78 | CCR2 (0.66) | CCR5CCR2HDAC1KDM4E | |
| SCHEMBL7222245 | 0.78 | HRH3 (0.51) | CCR5CCR2HDAC1ALDH1A1HRH4 | |
| SCHEMBL7222494 | 0.78 | HRH3 (0.51) | CCR5CCR2HDAC1ALDH1A1HRH4 | |
| SCHEMBL2761949 | 0.78 | HDAC1 (0.46) | CCR5CCR2HDAC1HRH4HRH3 | |
| SCHEMBL7309056 | 0.78 | MCHR1 (0.65) | ALDH1A1LTA4HMCHR1MAPTCYP2C19 | |
| SCHEMBL3859400 | 0.78 | MCHR1 (0.53) | CCR5CCR2HDAC1MCHR1MAPT | |
| SCHEMBL17571831 | 0.78 | NPC1 (0.60) | ALDH1A1MAPTKDM4E |
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 |