Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | MME | P08473 | 1/20 | 0.49 |
| ▸ | CTRB1 | P17538 | 6/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3627449 | 1.00 | NPC1 (0.56) | NPC1RAB9AMMECTRB1LMNA | |
| SCHEMBL6192393 | 1.00 | NPC1 (0.56) | NPC1RAB9AMMECTRB1LMNA | |
| SCHEMBL27418997 | 1.00 | NPC1 (0.56) | NPC1RAB9AMMECTRB1LMNA | |
| SCHEMBL6193303 | 1.00 | NPC1 (0.56) | NPC1RAB9AMMECTRB1LMNA | |
| SCHEMBL4687372 | 1.00 | NPC1 (0.56) | NPC1RAB9AMMECTRB1LMNA | |
| SCHEMBL4728419 | 0.85 | NPC1 (0.50) | NPC1RAB9AMMECTRB1CYP1A2 | |
| SCHEMBL6192415 | 0.85 | CYP3A4 (0.48) | NPC1RAB9ALMNACYP3A4MAPK1 | |
| SCHEMBL6192409 | 0.85 | CYP3A4 (0.48) | NPC1RAB9ALMNACYP3A4MAPK1 | |
| SCHEMBL9012913 | 0.84 | BACE1 (0.50) | NPC1RAB9ACYP1A2 | |
| SCHEMBL4687328 | 0.83 | NPC1 (0.50) | NPC1RAB9ACTRB1LMNATAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101868457-B | (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy | COMENTIS INC | 2013-02-13 | — | — | CN | disclosed |
| CN-101868457-A | (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy | COMENTIS INC | 2010-10-20 | — | — | CN | disclosed |