Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7521201 | 0.85 | ALDH1A1 (0.49) | HPGDTSHRALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL17715566 | 0.84 | HPGD (0.40) | CCR1HPGDTSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL7528548 | 0.77 | SMN1; SMN2 (0.42) | HPGDTSHRALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL7528879 | 0.75 | KEAP1 (0.37) | ALDH1A1SMN1; SMN2LMNANPSR1KMT2A | |
| SCHEMBL7522798 | 0.75 | ALDH1A1 (0.44) | HPGDALDH1A1SMN1; SMN2NPC1KMT2A | |
| SCHEMBL7522832 | 0.74 | CCR1 (0.41) | CCR1TSHRALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL7524339 | 0.74 | POLB (0.47) | HPGDALDH1A1SMN1; SMN2LMNANPSR1 | |
| SCHEMBL7525546 | 0.74 | BACE1 (0.34) | ALDH1A1SMN1; SMN2LMNANPSR1OPRL1 | |
| SCHEMBL7513103 | 0.74 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2LMNANPSR1KMT2A | |
| SCHEMBL7524333 | 0.74 | CHRM3 (0.38) | CCR1ALDH1A1SMN1; SMN2LMNANPSR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005058311-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2005-06-30 | — | — | WO | disclosed |