Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1B | Q01064 | 2/20 | 0.51 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | APLNR | P35414 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12909329 | 0.87 | HRH3 (0.64) | PDE1BHRH4HRH3ALDH1A1SMN1; SMN2 | |
| SCHEMBL29336473 | 0.85 | HRH3 (0.67) | PDE1BHRH4HRH3ALDH1A1KDM4E | |
| SCHEMBL19390961 | 0.84 | HRH3 (0.70) | PDE1BHRH4HRH3ALDH1A1CYP2D6 | |
| SCHEMBL17297950 | 0.83 | HRH3 (0.50) | PDE1BHRH4HRH3ALDH1A1SMN1; SMN2 | |
| SCHEMBL16193406 | 0.82 | HRH3 (0.53) | PDE1BHRH4HRH3ALDH1A1NPC1 | |
| SCHEMBL28515493 | 0.82 | SMN1; SMN2 (0.44) | PDE1BALDH1A1SMN1; SMN2GAAL3MBTL1 | |
| SCHEMBL19477795 | 0.81 | HRH3 (0.49) | PDE1BHRH4HRH3ALDH1A1SMN1; SMN2 | |
| SCHEMBL7216670 | 0.81 | HRH3 (0.51) | PDE1BHRH4HRH3ALDH1A1NPC1 | |
| SCHEMBL5179064 | 0.81 | HRH3 (0.51) | PDE1BHRH4HRH3ALDH1A1NPC1 | |
| SCHEMBL7222245 | 0.81 | HRH3 (0.51) | HRH4HRH3ALDH1A1NPC1RAB9A |
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 |