Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.36 |
| ▸ | CETP | P11597 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 6/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL12213318 | 1.00 | NR1H2 (0.41) | NR1H2CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL1724522 | 1.00 | NR1H2 (0.41) | NR1H2CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL24073652 | 0.88 | NR1H2 (0.38) | NR1H2CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL25838521 | 0.88 | NR1H2 (0.38) | NR1H2CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL1267959 | 0.88 | ATM (0.40) | NR1H2CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL1268619 | 0.88 | ATM (0.40) | NR1H2CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL3964124 | 0.88 | ATM (0.40) | NR1H2CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL12213289 | 0.88 | NR1H2 (0.41) | NR1H2CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL3725714 | 0.88 | NR1H2 (0.48) | NR1H2CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL2526553 | 0.88 | NR1H2 (0.41) | NR1H2CHRM2CHRM1CHRM3CYP1A2 |
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-2229356-B1 | 1,2-DISUBSTITUTED-4-BENZYLAMINO-PYRROLIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLI PIDEMIA OR ARTERIOSCLEROSIS | NOVARTIS AG (CH) | 2011-10-12 | — | — | EP | disclosed |