Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7305826 | 1.00 | TSHR (0.38) | TSHRCHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL3357403 | 0.80 | HCAR2 (0.42) | TSHRCHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL27859554 | 0.78 | TSHR (0.48) | TSHRCHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL3355742 | 0.77 | ATM (0.52) | TSHRSMN1; SMN2MAPTLMNAALDH1A1 | |
| SCHEMBL3295759 | 0.77 | CHRM2 (0.32) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6125613 | 0.76 | TSHR (0.39) | TSHRCHRM5CHRM1CHRM3SMN1; SMN2 | |
| SCHEMBL16170327 | 0.76 | TSHR (0.39) | TSHRCHRM5CHRM1CHRM3SMN1; SMN2 | |
| SCHEMBL6819424 | 0.75 | — | — | |
| SCHEMBL3357035 | 0.75 | — | — | |
| Propene SCHEMBL9004273 | 0.74 | TSHR (0.43) | TSHRCHRM2CHRM4CHRM5CHRM1 |
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 |