Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 4/20 | 0.32 |
| ▸ | PPM1D | O15297 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4420095 | 1.00 | ABCB1 (0.35) | ABCB1NR1H2SRCPPM1DHSD11B1 | |
| SCHEMBL9596446 | 1.00 | ABCB1 (0.35) | ABCB1NR1H2SRCPPM1DHSD11B1 | |
| SCHEMBL30752597 | 0.88 | ABCB1 (0.34) | ABCB1NR1H2 | |
| SCHEMBL9595062 | 0.88 | NR1H2 (0.32) | ABCB1NR1H2 | |
| SCHEMBL9567173 | 0.88 | NR1H2 (0.37) | ABCB1NR1H2SRCALDH1A1CHRM2 | |
| SCHEMBL8430093 | 0.87 | NR1H2 (0.34) | ABCB1NR1H2SRCALDH1A1CHRM2 | |
| SCHEMBL8429906 | 0.87 | NR1H2 (0.34) | ABCB1NR1H2SRCALDH1A1CHRM2 | |
| SCHEMBL17152840 | 0.87 | NR1H2 (0.34) | ABCB1NR1H2SRCHSD11B1ALDH1A1 | |
| SCHEMBL8107847 | 0.86 | SRC (0.35) | ABCB1NR1H2SRCALDH1A1 | |
| SCHEMBL2080032 | 0.86 | SRC (0.35) | ABCB1NR1H2SRCALDH1A1 |
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-1597229-B1 | PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS | MERCK SERONO SA (CH) | 2009-11-18 | — | — | EP | disclosed |