Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PYGM | P11217 | 2/20 | 0.41 |
| ▸ | PYGL | P06737 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9837076 | 0.85 | POLB (0.64) | POLBGAAKDM4EMEN1KMT2A | |
| SCHEMBL16178523 | 0.78 | KDM4E (0.66) | POLBGAAKDM4EPYGMPYGL | |
| SCHEMBL9505359 | 0.73 | KDM4E (0.49) | POLBGAAKDM4EPYGMPYGL | |
| SCHEMBL9033367 | 0.70 | PYGM (0.52) | POLBGAAKDM4EPYGMPYGL | |
| SCHEMBL7410687 | 0.68 | CACNA1B (0.61) | POLBGAAMAPTMEN1KMT2A | |
| SCHEMBL11008635 | 0.68 | KDM4E (0.54) | POLBGAAKDM4EPYGMPYGL | |
| SCHEMBL10445960 | 0.68 | KDM4E (0.43) | POLBGAAKDM4EPYGMPYGL | |
| SCHEMBL9837158 | 0.67 | PYGM (0.46) | POLBGAAKDM4EPYGMPYGL | |
| SCHEMBL16178581 | 0.66 | TSHR (0.53) | NOTUMGAAKDM4EMEN1KMT2A | |
| SCHEMBL10983420 | 0.65 | MGLL (0.62) | MGLLMAPTMEN1KMT2AALDH1A1 |
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 3 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-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 |