Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 12/20 | 0.71 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | REN | P00797 | 1/20 | 0.44 |
| ▸ | CTSD | P07339 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8267100 | 0.87 | BACE1 (0.62) | BACE1BACE2KDM4EALDH1A1REN | |
| SCHEMBL2933230 | 0.84 | BACE1 (0.54) | BACE1BACE2AKR1C3RENCTSD | |
| SCHEMBL5999607 | 0.83 | BACE1 (1.00) | BACE1RENCTSDKCNH2 | |
| SCHEMBL3367165 | 0.81 | BACE1 (0.59) | BACE1BACE2RENCTSDKCNH2 | |
| SCHEMBL3363696 | 0.79 | BACE1 (0.67) | BACE1BACE2RENCTSDKCNH2 | |
| SCHEMBL3367170 | 0.77 | BACE1 (0.59) | BACE1BACE2RENCTSDKCNH2 | |
| SCHEMBL2925508 | 0.75 | BACE1 (0.53) | BACE1BACE2RENCTSDKCNH2 | |
| SCHEMBL5998522 | 0.74 | BACE1 (0.58) | BACE1BACE2RENCTSDKCNH2 | |
| SCHEMBL5998529 | 0.73 | BACE1 (0.58) | BACE1BACE2RENCTSDKCNH2 | |
| SCHEMBL3363599 | 0.73 | BACE2 (0.55) | BACE1BACE2RENCTSDKCNH2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8436006-B2 | 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) | JANSSSEN PHARMACEUTICA N.V. (BE) | 2013-05-07 | — | — | US | disclosed |
| US-8426429-B2 | 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) | JANSSSEN PHARMACEUTICA N.V. (BE) | 2013-04-23 | — | — | US | disclosed |
| US-8426429-B2 | 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) | JANSSSEN PHARMACEUTICA N.V. (BE) | 2013-04-23 | — | — | US | disclosed |
| US-8383637-B2 | 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) | JANSSSEN PHARMACEUTICA N.V. (BE) | 2013-02-26 | — | — | US | disclosed |
| US-8383637-B2 | 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) | JANSSSEN PHARMACEUTICA N.V. (BE) | 2013-02-26 | — | — | US | disclosed |