Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 3/20 | 0.46 |
| ▸ | CCR5 | P51681 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7218125 | 0.97 | CCR2 (0.47) | CCR2CCR5CYP2D6BCHEACHE | |
| SCHEMBL7167251 | 0.95 | CCR2 (0.47) | CCR2CCR5MEN1ADRB2KMT2A | |
| SCHEMBL7216597 | 0.95 | CCR2 (0.48) | CCR2CCR5MEN1KMT2AL3MBTL1 | |
| SCHEMBL7223307 | 0.93 | CCR2 (0.48) | CCR2CCR5MEN1ADRB2KMT2A | |
| SCHEMBL7165818 | 0.91 | CCR2 (0.49) | CCR2CCR5MEN1KMT2AL3MBTL1 | |
| SCHEMBL7218136 | 0.91 | CCR2 (0.49) | CCR2CCR5MEN1KMT2AL3MBTL1 | |
| SCHEMBL7221451 | 0.90 | CCR2 (0.45) | CCR2CCR5THRBL3MBTL1 | |
| SCHEMBL7971833 | 0.90 | CCR2 (0.55) | CCR2CCR5 | |
| SCHEMBL7215821 | 0.89 | CCR2 (0.48) | CCR2CCR5KMT2ANPC1RAB9A | |
| SCHEMBL7221572 | 0.89 | CCR2 (0.49) | CCR2CCR5MEN1KMT2AL3MBTL1 |
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 |