Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | GABRR1 | P24046 | 3/20 | 0.41 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7273202 | 1.00 | TSHR (0.41) | TSHRGABRR1GABRR2BLMNPSR1 | |
| SCHEMBL2890674 | 0.83 | ATM (0.56) | TSHRNPSR1ATMHCAR2SMN1; SMN2 | |
| SCHEMBL5974049 | 0.83 | ATM (0.56) | TSHRNPSR1ATMHCAR2SMN1; SMN2 | |
| SCHEMBL403340 | 0.83 | ATM (0.56) | TSHRNPSR1ATMHCAR2SMN1; SMN2 | |
| SCHEMBL534938 | 0.82 | ATM (0.47) | TSHRNPSR1ATMHCAR2SMN1; SMN2 | |
| SCHEMBL11481011 | 0.81 | ATM (0.50) | TSHRGABRR1GABRR2BLMNPSR1 | |
| SCHEMBL13729941 | 0.78 | ATM (0.70) | TSHRGABRR1GABRR2BLMNPSR1 | |
| SCHEMBL16866042 | 0.78 | ATM (0.70) | TSHRGABRR1GABRR2BLMNPSR1 | |
| Methylamine SCHEMBL11684071 | 0.78 | ATM (0.42) | TSHRNPSR1LMNAATMHCAR2 | |
| SCHEMBL10289012 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0657430-B1 | Isopropyl-(2-methoxyethyl)-4-(2-chloro-3-cyano-phenyl)-1,4-dihydro-2,6-dimethyl-piridine-3,5-dicarboxylate | BAYER AG (DE) | 1999-06-02 | — | — | EP | claimed |
| US-5665740-A | Isopropyl 2-methoxyethyl 4-(2-chloro-3-cyano-phenyl)-1, 4-dihydro-2,6-dimethyl-pyridine-3,5-dica rboxylate | BAYER AKTIENGESELLSCHAFT (DE) | 1997-09-09 | — | — | US | disclosed |