Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | SLC10A2 | Q12908 | 1/20 | 0.32 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8002114 | 0.81 | CYP1A1 (0.37) | PDE3BPDE3AKDM4EALDH1A1GBA1 | |
| SCHEMBL8004418 | 0.80 | CYP1A1 (0.41) | CYP1A1CYP1B1ADORA2AADORA1DHFR | |
| SCHEMBL8006682 | 0.78 | PDE3B (0.40) | PDE3BPDE3AKDM4EALDH1A1GBA1 | |
| SCHEMBL577220 | 0.77 | CYP1A1 (0.34) | KDM4ECYP1A1CYP1B1MAPTMEN1 | |
| SCHEMBL314374 | 0.77 | CYP1A1 (0.37) | PDE3BPDE3AKDM4EALDH1A1CYP1A1 | |
| SCHEMBL8003339 | 0.76 | POLB (0.39) | PDE3BPDE3AKDM4EALDH1A1HPGD | |
| SCHEMBL15216083 | 0.74 | ADORA2A (0.35) | CYP1A1CYP1B1ADORA2AADORA1MEN1 | |
| SCHEMBL8004421 | 0.72 | ADORA2A (0.39) | KDM4EALDH1A1ADORA2AADORA1DHFR | |
| SCHEMBL2871319 | 0.71 | CYP19A1 (0.40) | KDM4EALDH1A1CYP1A1CYP1B1MAPT | |
| SCHEMBL2839773 | 0.71 | ACHE (0.38) | KDM4EALDH1A1CYP1A1CYP1B1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2250174-B1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS INC (US) | 2013-08-28 | — | — | EP | disclosed |
| WO-2009099596-A2 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARAMACEUTICALS, INC. (US) | 2009-08-13 | — | — | WO | disclosed |