Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 | Q16531 | 1/20 | 0.52 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5253490 | 0.80 | HTT (0.59) | DDB1CRBNALDH1A1HTTMEN1 | |
| Hydrochloric Acid SCHEMBL5186439 | 0.79 | HTT (0.58) | DDB1CRBNALDH1A1HTTMEN1 | |
| SCHEMBL11454909 | 0.77 | DDB1 (0.59) | DDB1CRBNALDH1A1PKMHTT | |
| SCHEMBL11903535 | 0.75 | DDB1 (0.65) | DDB1CRBNALDH1A1PKMHTT | |
| SCHEMBL4343897 | 0.74 | DDB1 (0.56) | DDB1CRBNALDH1A1PKMHTT | |
| SCHEMBL5809510 | 0.73 | GAA (0.47) | DDB1CRBNALDH1A1NFKB1NFKB2 | |
| SCHEMBL11840921 | 0.71 | ALDH1A1 (0.68) | DDB1CRBNALDH1A1PKMHTT | |
| SCHEMBL3730396 | 0.71 | DDB1 (0.64) | DDB1CRBNALDH1A1HTTGAA | |
| SCHEMBL7345968 | 0.71 | HTT (0.60) | DDB1CRBNALDH1A1PKMHTT | |
| SCHEMBL9366340 | 0.71 | CRBN (0.73) | DDB1CRBNALDH1A1PKMHTT |
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-1436255-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | Aventis Pharmaceuticals, Inc. (US) | 2004-07-14 | — | — | EP | disclosed |
| WO-2003024924-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2003-03-27 | — | — | WO | disclosed |