Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | DGKA | P23743 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL50610 | 0.78 | CYP1A2 (0.73) | CYP1A2TDP1ALDH1A1ALOX15USP2 | |
| SCHEMBL8570508 | 0.78 | CYP1A2 (0.73) | CYP1A2TDP1ALDH1A1ALOX15USP2 | |
| SCHEMBL15534191 | 0.77 | MGAM (0.44) | CYP1A2TDP1ALDH1A1ALOX15USP2 | |
| SCHEMBL19066941 | 0.76 | CYP1A2 (0.70) | CYP1A2TDP1ALDH1A1ALOX15USP2 | |
| SCHEMBL33870 | 0.76 | CYP1A2 (0.70) | CYP1A2TDP1ALDH1A1ALOX15USP2 | |
| SCHEMBL494584 | 0.76 | CYP1A2 (0.70) | CYP1A2TDP1ALDH1A1ALOX15USP2 | |
| SCHEMBL1483107 | 0.76 | CYP1A2 (0.70) | CYP1A2TDP1ALDH1A1ALOX15USP2 | |
| Diethyl Octadecanedioate SCHEMBL496152 | 0.76 | CYP1A2 (0.70) | CYP1A2TDP1ALDH1A1ALOX15USP2 | |
| SCHEMBL6055406 | 0.76 | CYP1A2 (0.70) | CYP1A2TDP1ALDH1A1ALOX15USP2 | |
| Succinic Acid Diethyl Ester SCHEMBL21518140 | 0.76 | CYP1A2 (0.70) | CYP1A2TDP1ALDH1A1ALOX15SMYD3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104470895-A | N-[3-(2-carboxyethyl)phenyl]piperidin-1-ylacetamide derivatives and use thereof as activators of soluble guanylate cyclase | Bayer Pharma AG | 2015-03-25 | — | — | CN | disclosed |