Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 7/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.37 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7218093 | 1.00 | CCR2 (0.39) | CCR2KDM1ACCR5GAAMAPK14 | |
| SCHEMBL7218233 | 0.85 | CCR2 (0.47) | CCR2CCR5 | |
| SCHEMBL7218235 | 0.85 | CCR2 (0.47) | CCR2CCR5 | |
| SCHEMBL7222809 | 0.83 | CCR5 (0.54) | CCR2CCR5 | |
| SCHEMBL7222814 | 0.83 | CCR5 (0.54) | CCR2CCR5 | |
| SCHEMBL7222812 | 0.80 | CCR2 (0.59) | CCR2CCR5NPC1RAB9AHPGD | |
| SCHEMBL7221437 | 0.74 | CCR2 (0.67) | CCR2CCR5NPC1RAB9A | |
| SCHEMBL7221440 | 0.74 | CCR2 (0.67) | CCR2CCR5NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL7216657 | 0.74 | CCR5 (0.46) | CCR2CCR5 | |
| Hydrochloric Acid SCHEMBL7216653 | 0.74 | CCR5 (0.46) | CCR2CCR5 |
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 |