Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.51 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.37 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16193406 | 0.85 | HRH3 (0.53) | HRH3HRH4NPC1RAB9APIK3CD | |
| SCHEMBL7222245 | 0.83 | HRH3 (0.51) | HRH3HRH4NPC1RAB9APIK3CD | |
| SCHEMBL3094208 | 0.83 | HRH3 (0.51) | HRH3HRH4NPC1RAB9APIK3CD | |
| SCHEMBL313877 | 0.83 | HRH3 (0.51) | HRH3HRH4NPC1RAB9APIK3CD | |
| SCHEMBL5179064 | 0.83 | HRH3 (0.51) | HRH3HRH4NPC1RAB9APIK3CD | |
| SCHEMBL7222494 | 0.83 | HRH3 (0.51) | HRH3HRH4NPC1RAB9APIK3CD | |
| SCHEMBL2106916 | 0.83 | NPC1 (0.56) | HRH3HRH4NPC1RAB9APIK3CD | |
| Hydrochloric Acid SCHEMBL6340964 | 0.82 | HRH3 (0.50) | HRH3HRH4NPC1RAB9APIK3CD | |
| Hydrochloric Acid SCHEMBL7221627 | 0.82 | HRH3 (0.50) | HRH3HRH4NPC1RAB9APIK3CD | |
| SCHEMBL14850006 | 0.81 | HRH3 (0.49) | HRH3HRH4NPC1RAB9APIK3CD |
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 |