Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 3/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.37 |
| ▸ | MELK | Q14680 | 4/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | TTK | P33981 | 3/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7221605 | 1.00 | OPRK1 (0.40) | OPRK1CCR2KDM4EALDH1A1MAPT | |
| SCHEMBL5204989 | 0.79 | CCR2 (0.59) | OPRK1CCR2KDM4EALDH1A1MAPT | |
| SCHEMBL7218233 | 0.75 | CCR2 (0.47) | CCR2 | |
| SCHEMBL7218235 | 0.75 | CCR2 (0.47) | CCR2 | |
| SCHEMBL7221440 | 0.75 | CCR2 (0.67) | CCR2 | |
| SCHEMBL7221437 | 0.75 | CCR2 (0.67) | CCR2 | |
| SCHEMBL7222809 | 0.75 | CCR5 (0.54) | CCR2 | |
| SCHEMBL7222814 | 0.75 | CCR5 (0.54) | CCR2 | |
| SCHEMBL7220493 | 0.72 | HDAC1 (0.41) | CCR2ALDH1A1GABRA5 | |
| SCHEMBL7220496 | 0.72 | HDAC1 (0.41) | CCR2ALDH1A1GABRA5 |
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 |