Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GALR3 | O60755 | 1/20 | 0.36 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.36 |
| ▸ | PDE8B | O95263 | 6/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | PDE8A | O60658 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6800113 | 0.81 | LMNA (0.41) | LMNARAB9AKDM4ENPC1KMT2A | |
| SCHEMBL6800123 | 0.81 | LMNA (0.41) | LMNARAB9AKDM4ENPC1KMT2A | |
| SCHEMBL6803009 | 0.74 | TBK1 (0.37) | LMNARAB9AKDM4ENPC1KMT2A | |
| SCHEMBL6803021 | 0.73 | TBK1 (0.37) | LMNARAB9AKDM4ENPC1KMT2A | |
| SCHEMBL4510686 | 0.65 | KMT2A (0.52) | LMNAKMT2AHTTMEN1TSHR | |
| SCHEMBL6802589 | 0.62 | KDM4E (0.37) | LMNARAB9AKDM4ENPC1ALDH1A1 | |
| SCHEMBL6802592 | 0.62 | GAA (0.38) | RAB9AKDM4ENPC1ALDH1A1 | |
| SCHEMBL29354067 | 0.60 | LMNA (0.65) | LMNARAB9AKDM4ENPC1KMT2A | |
| SCHEMBL6799108 | 0.60 | GAA (0.37) | KDM4EALDH1A1TP53 | |
| SCHEMBL11620903 | 0.60 | GAA (0.56) | LMNARAB9AKDM4ENPC1TSHR |
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-1159273-A1 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000051998-A1 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2000-09-08 | — | — | WO | disclosed |