Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8816071 | 1.00 | CYP1A2 (0.43) | CYP1A2HPGDALDH1A1HSD11B1ATM | |
| SCHEMBL9257431 | 0.78 | CYP1A2 (0.48) | CYP1A2HPGDALDH1A1HSD11B1ATM | |
| SCHEMBL8159785 | 0.78 | CYP1A2 (0.48) | CYP1A2HPGDALDH1A1HSD11B1ATM | |
| SCHEMBL5460780 | 0.76 | EPHX1 (0.39) | CYP1A2HPGDEPHX1KMT2A | |
| SCHEMBL11503387 | 0.76 | EPHX1 (0.39) | CYP1A2HPGDEPHX1KMT2A | |
| SCHEMBL1936361 | 0.76 | EPHX1 (0.39) | CYP1A2HPGDEPHX1KMT2A | |
| SCHEMBL1525318 | 0.76 | CA1 (0.38) | CYP1A2ALDH1A1HSD11B1EPHX1 | |
| SCHEMBL9253899 | 0.75 | CYP1A2 (0.44) | CYP1A2HPGDALDH1A1HSD11B1ATM | |
| SCHEMBL20902891 | 0.74 | CYP1A2 (0.44) | CYP1A2HPGDALDH1A1HSD11B1ATM | |
| SCHEMBL22549651 | 0.74 | HPGD (0.53) | CYP1A2HPGDALDH1A1HSD11B1ATM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1776349-B1 | 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2010-10-06 | — | — | EP | claimed |