Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 13/20 | 0.55 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.45 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.45 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31232619 | 0.86 | FAAH (0.52) | FAAH | |
| SCHEMBL10260016 | 0.85 | FAAH (0.51) | FAAHAGTR2ADRB1ADRB3DGAT1 | |
| SCHEMBL10260957 | 0.84 | FAAH (0.57) | FAAHADRB1ADRB3HSD17B3 | |
| SCHEMBL31232502 | 0.84 | FAAH (0.50) | FAAH | |
| SCHEMBL459845 | 0.83 | FAAH (0.49) | FAAHADRB1ADRB3DGAT1 | |
| SCHEMBL21557586 | 0.82 | FAAH (0.55) | FAAH | |
| SCHEMBL5608206 | 0.81 | FAAH (0.53) | FAAH | |
| SCHEMBL367535 | 0.81 | FAAH (0.53) | FAAH | |
| SCHEMBL6427539 | 0.81 | FAAH (0.53) | FAAH | |
| SCHEMBL14378531 | 0.80 | FAAH (0.49) | FAAHDGAT1 |
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 |