Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 5/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SNCA | P37840 | 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 | |
|---|---|---|---|---|
| SCHEMBL7021618 | 0.78 | SNCA (0.34) | SLC6A2SLC6A4CYP2D6SLC6A3HPGD | |
| SCHEMBL7420191 | 0.78 | SNCA (0.34) | SLC6A2SLC6A4CYP2D6SLC6A3SNCA | |
| SCHEMBL7415546 | 0.74 | PSEN1 (0.34) | CYP2D6KDM4EALDH1A1CTSSCTSK | |
| SCHEMBL7416904 | 0.72 | SNCA (0.35) | CYP2D6SNCATMEM97SIGMAR1CTSS | |
| SCHEMBL7420196 | 0.70 | CTSS (0.36) | SLC6A2SLC6A4CYP2D6SLC6A3NPC1 | |
| SCHEMBL7021621 | 0.70 | RXFP1 (0.34) | SLC6A2SLC6A4CYP2D6SLC6A3SNCA | |
| SCHEMBL7418232 | 0.69 | PTGES (0.35) | — | |
| SCHEMBL7420829 | 0.69 | SNCA (0.34) | ALDH1A1SNCACTSSCTSK | |
| SCHEMBL7422302 | 0.68 | SLC6A2 (0.35) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7414438 | 0.68 | PTGES (0.36) | KDM4EALDH1A1PKMHPGDHTT |
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-1218372-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |