Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 8/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.33 |
| ▸ | RELA | Q04206 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8006682 | 0.87 | PDE3B (0.40) | CYP1A1CYP1B1PDE3BPDE3AKDM4E | |
| SCHEMBL314374 | 0.86 | CYP1A1 (0.37) | CYP1A1CYP1B1PDE3BPDE3AKDM4E | |
| SCHEMBL7993473 | 0.81 | PDE3B (0.36) | CYP1A1CYP1B1PDE3BPDE3AKDM4E | |
| SCHEMBL8005879 | 0.81 | KDM4E (0.42) | CYP1A1CYP1B1PDE3BPDE3AKDM4E | |
| SCHEMBL7993475 | 0.80 | PDE3B (0.37) | CYP1A1CYP1B1PDE3BPDE3AKDM4E | |
| SCHEMBL15216084 | 0.80 | ACHE (0.40) | CYP1A1CYP1B1KDM4EALDH1A1MEN1 | |
| SCHEMBL577547 | 0.77 | CYP1A1 (0.37) | CYP1A1CYP1B1KDM4EMEN1MAPT | |
| SCHEMBL8244066 | 0.76 | SMN1; SMN2 (0.54) | CYP1A1CYP1B1PDE3BPDE3AKDM4E | |
| SCHEMBL7993018 | 0.76 | SLC2A1 (0.41) | PDE3BPDE3AKDM4EALDH1A1NPC1 | |
| SCHEMBL8004425 | 0.74 | CYP1B1 (0.35) | CYP1A1CYP1B1MEN1KMT2ACYP1A2 |
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 |