Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | APOBEC3A | P31941 | 3/20 | 0.49 |
| ▸ | APOBEC3G | Q9HC16 | 3/20 | 0.49 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.49 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.49 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.49 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.49 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | ELANE | P08246 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10690794 | 0.87 | NPSR1 (0.49) | KMT2AALDH1A1KDM4EGAACYP2C9 | |
| SCHEMBL11816770 | 0.82 | CACNA1F (0.57) | KMT2ACACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9121557 | 0.79 | CACNA1F (0.52) | KMT2AAPOBEC3AAPOBEC3GCACNA1FCACNA1D | |
| SCHEMBL11780843 | 0.78 | CACNA1F (0.63) | KMT2ACACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL11819347 | 0.77 | CACNA1F (0.72) | KMT2ACACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL11670075 | 0.76 | CACNA1F (0.59) | KMT2ACACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL11752439 | 0.74 | CACNA1F (0.66) | KMT2ACACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL11752122 | 0.74 | KDM4E (0.50) | KMT2ACACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL10861491 | 0.73 | CACNA1F (0.67) | KMT2ACACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL7275780 | 0.73 | CACNA1F (0.67) | KMT2ACACNA1FCACNA1DCACNA1SCACNA1C |
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 |