Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 15/20 | 0.47 |
| ▸ | CTSD | P07339 | 13/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.43 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7541925 | 1.00 | BACE1 (0.47) | BACE1CTSDTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL8197967 | 0.93 | BACE1 (0.51) | BACE1CTSDTSHRALDH1A1 | |
| SCHEMBL2962292 | 0.93 | BACE1 (0.51) | BACE1CTSDTSHRALDH1A1 | |
| SCHEMBL13054144 | 0.93 | BACE1 (0.51) | BACE1CTSDTSHRALDH1A1 | |
| SCHEMBL7554360 | 0.93 | BACE1 (0.51) | BACE1CTSDTSHRALDH1A1 | |
| SCHEMBL12174286 | 0.93 | BACE1 (0.51) | BACE1CTSDTSHRALDH1A1 | |
| SCHEMBL12173843 | 0.93 | BACE1 (0.51) | BACE1CTSDTSHRALDH1A1 | |
| SCHEMBL12500118 | 0.93 | BACE1 (0.48) | BACE1CTSDTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL13407686 | 0.90 | BACE1 (0.49) | BACE1CTSDTSHRALDH1A1 | |
| SCHEMBL7541601 | 0.90 | BACE1 (0.49) | BACE1CTSDTSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7700603-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2010-04-20 | — | — | US | disclosed |
| US-7700603-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2010-04-20 | — | — | US | disclosed |