Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.34 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4755372 | 0.76 | TSHR (0.39) | POLBTDP1TSHRL3MBTL1FBP1 | |
| SCHEMBL7274724 | 0.75 | CACNA1B (0.38) | TSHRFBP1LMNA | |
| SCHEMBL7382729 | 0.74 | TSHR (0.37) | POLBTDP1TSHRL3MBTL1ALDH1A1 | |
| SCHEMBL8896632 | 0.70 | TSHR (0.42) | POLBTDP1TSHRL3MBTL1ALDH1A1 | |
| SCHEMBL4880017 | 0.68 | TSHR (0.38) | POLBTDP1TSHRL3MBTL1ALDH1A1 | |
| SCHEMBL3396115 | 0.67 | GPR35 (0.41) | CYP2C19POLBTDP1TSHRL3MBTL1 | |
| SCHEMBL7351539 | 0.66 | MAPT (0.37) | POLBTDP1TSHRL3MBTL1ALDH1A1 | |
| SCHEMBL4880853 | 0.65 | ABCC4 (0.47) | CYP2C19POLBTDP1TSHRALDH1A1 | |
| SCHEMBL27819930 | 0.64 | POLB (0.52) | CYP2C19POLBTDP1TSHRL3MBTL1 | |
| SCHEMBL2944564 | 0.63 | HSD17B10 (0.39) | CYP2C19POLBTDP1TSHRL3MBTL1 |
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-1532110-B1 | INDUSTRIAL PROCESS FOR THE SYNTHESIS OF ISOBUTYL METHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(2-NITROPHENYL)-3,5-PYRIDINE DICARBOXYLATE (NISOLDIPINE) | ERREGIERRE SPA (IT) | 2008-07-23 | — | — | EP | claimed |