Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.59 |
| ▸ | CTSD | P07339 | 6/20 | 0.54 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 6/20 | 0.41 |
| ▸ | BCHE | P06276 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3221104 | 0.83 | SIGMAR1 (0.57) | SIGMAR1CTSDNOS3NOS1NOS2 | |
| SCHEMBL14723908 | 0.82 | SIGMAR1 (0.51) | SIGMAR1CTSDNOS3NOS1NOS2 | |
| SCHEMBL10615392 | 0.80 | SIGMAR1 (0.54) | SIGMAR1CTSDNOS3NOS1NOS2 | |
| SCHEMBL3222976 | 0.78 | CTSD (0.48) | SIGMAR1CTSDNOS3NOS1NOS2 | |
| SCHEMBL3221511 | 0.78 | SIGMAR1 (0.48) | SIGMAR1CTSDNOS3NOS1NOS2 | |
| SCHEMBL3217215 | 0.78 | SIGMAR1 (0.48) | SIGMAR1CTSDMEN1USP2ALDH1A1 | |
| SCHEMBL3215457 | 0.78 | SIGMAR1 (0.48) | SIGMAR1CTSDNOS3NOS1NOS2 | |
| SCHEMBL3214965 | 0.78 | SIGMAR1 (0.48) | SIGMAR1CTSDNOS3NOS1NOS2 | |
| SCHEMBL2359240 | 0.77 | SIGMAR1 (0.62) | SIGMAR1CTSDNOS3NOS1NOS2 | |
| SCHEMBL18895799 | 0.76 | SIGMAR1 (0.61) | SIGMAR1CTSDNOS3NOS1NOS2 |
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 3 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-8383637-B2 | 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) | JANSSSEN PHARMACEUTICA N.V. (BE) | 2013-02-26 | — | — | US | disclosed |