Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | ALPI | P09923 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | XIAP | P98170 | 1/20 | 0.46 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.46 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.45 |
| ▸ | BACE1 | P56817 | 2/20 | 0.44 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MME | P08473 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9012913 | 0.87 | BACE1 (0.50) | NPC1RAB9ACYP1A2BACE1SLC6A11 | |
| SCHEMBL6193303 | 0.85 | NPC1 (0.56) | NPC1RAB9ACYP1A2CTRB1MME | |
| SCHEMBL27418997 | 0.85 | NPC1 (0.56) | NPC1RAB9ACYP1A2CTRB1MME | |
| SCHEMBL6192393 | 0.85 | NPC1 (0.56) | NPC1RAB9ACYP1A2CTRB1MME | |
| SCHEMBL4687372 | 0.85 | NPC1 (0.56) | NPC1RAB9ACYP1A2CTRB1MME | |
| SCHEMBL27798809 | 0.85 | NPC1 (0.56) | NPC1RAB9ACYP1A2CTRB1MME | |
| SCHEMBL3627449 | 0.85 | NPC1 (0.56) | NPC1RAB9ACYP1A2CTRB1MME | |
| SCHEMBL6942559 | 0.82 | NPC1 (0.45) | NPC1RAB9ACYP1A2ALPIPKM | |
| SCHEMBL2712697 | 0.82 | BACE1 (0.47) | NPC1RAB9ACYP1A2BACE1SLC6A11 | |
| SCHEMBL6944939 | 0.82 | BACE1 (0.47) | NPC1RAB9ACYP1A2BACE1SLC6A11 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008109287-A1 | METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS | ALLERGAN, INC. (US) | 2008-09-12 | — | — | WO | disclosed |
| WO-2008011483-A2 | METHODS FOR TREATING CHRONIC PAIN USING 1- (HETERO) ARYL-1-HYDROXY 2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS | ALLERGAN, INC. (US) | 2008-01-24 | — | — | WO | disclosed |