Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PYGM | P11217 | 2/20 | 0.42 |
| ▸ | PYGL | P06737 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.38 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7331530 | 0.88 | TSHR (0.57) | KDM4EGAATSHRHSD17B10LMNA | |
| SCHEMBL16178523 | 0.74 | KDM4E (0.66) | KDM4EGAAPYGMPYGLTSHR | |
| SCHEMBL16178376 | 0.72 | HSD17B10 (0.70) | KDM4EGAATSHRHSD17B10LMNA | |
| SCHEMBL9837158 | 0.72 | PYGM (0.46) | KDM4EGAAPYGMPYGLTSHR | |
| SCHEMBL9033367 | 0.70 | PYGM (0.52) | KDM4EGAAPYGMPYGLLMNA | |
| SCHEMBL10516404 | 0.67 | SIGMAR1 (0.49) | TSHRHSD17B10LMNASMN1; SMN2CACNA1B | |
| SCHEMBL8436723 | 0.66 | CASP3 (0.57) | KDM4EGAATSHRHSD17B10LMNA | |
| SCHEMBL10517002 | 0.66 | LMNA (0.53) | KDM4EGAATSHRHSD17B10LMNA | |
| SCHEMBL11008635 | 0.65 | KDM4E (0.54) | KDM4EGAAPYGMPYGLTSHR | |
| SCHEMBL9033145 | 0.65 | POLB (0.54) | KDM4EGAAPYGMPYGLTSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0234776-B1 | PROCESS FOR 1,4-DIHYDROPYRIDINE COMPOUNDS | MERCK & CO. INC. (US) | 1991-09-04 | — | — | EP | disclosed |
| US-4788203-A | INHIBITING CALCIUM INDUCED CONTRACTION; USED IN CHEMOTHERAPHY TREATMENT | MERCK & CO., INC. (US) | 1988-11-29 | — | — | US | disclosed |
| US-4780538-A | REACTING AN AMINOALKENOATE WITH AN AROMATIC ALDEHYDE USING AN TITANAMINE CATALYST | MERCK & CO., INC. (US) | 1988-10-25 | — | — | US | disclosed |
| EP-0234776-A2 | Process for 1,4-dihydropyridine compounds | MERCK & CO. INC. (US) | 1987-09-02 | — | — | EP | disclosed |