Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CCR2 | P41597 | 5/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.32 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7224629 | 1.00 | ALDH1A1 (0.37) | ALDH1A1RAB9ASMN1; SMN2MAPTHPGD | |
| SCHEMBL7219085 | 0.84 | CCR2 (0.37) | ALDH1A1RAB9ASMN1; SMN2MAPTHPGD | |
| SCHEMBL7219091 | 0.84 | CCR2 (0.37) | ALDH1A1RAB9ASMN1; SMN2MAPTHPGD | |
| SCHEMBL7220496 | 0.83 | HDAC1 (0.41) | ALDH1A1RAB9ASMN1; SMN2CCR2NPC1 | |
| SCHEMBL7220493 | 0.83 | HDAC1 (0.41) | ALDH1A1RAB9ASMN1; SMN2CCR2NPC1 | |
| SCHEMBL7221600 | 0.71 | OPRK1 (0.40) | ALDH1A1MAPTHPGDCCR2GABRA5 | |
| SCHEMBL7221605 | 0.71 | OPRK1 (0.40) | ALDH1A1MAPTHPGDCCR2GABRA5 | |
| SCHEMBL7218233 | 0.71 | CCR2 (0.47) | CCR2 | |
| SCHEMBL7218235 | 0.71 | CCR2 (0.47) | CCR2 | |
| SCHEMBL7222814 | 0.70 | CCR5 (0.54) | CCR2 |
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 |