Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100B | P04271 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 7/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL24140816 | 0.95 | S100B (0.51) | S100BMAPTKMT2AALDH1A1MEN1 | |
| SCHEMBL18973806 | 0.85 | MAPT (0.58) | MAPTKMT2AALDH1A1MEN1GAA | |
| SCHEMBL25039682 | 0.81 | MAPT (0.55) | S100BMAPTKMT2AALDH1A1MEN1 | |
| SCHEMBL8074303 | 0.77 | MAPT (0.71) | S100BMAPTKMT2AALDH1A1MEN1 | |
| SCHEMBL2759980 | 0.77 | MAPT (0.71) | S100BMAPTKMT2AALDH1A1MEN1 | |
| SCHEMBL9899784 | 0.77 | S100B (0.36) | S100BMAPTKMT2AALDH1A1MEN1 | |
| SCHEMBL5519971 | 0.77 | MAPT (0.53) | S100BMAPTKMT2AALDH1A1MEN1 | |
| SCHEMBL20043806 | 0.77 | S100B (0.65) | S100BMAPTKMT2AALDH1A1MEN1 | |
| SCHEMBL7428464 | 0.76 | BRD9 (0.47) | KMT2AALDH1A1MEN1GAALMNA | |
| SCHEMBL976809 | 0.76 | IP6K1 (0.56) | S100BMAPTKMT2AALDH1A1MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3283475-B1 | 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES | MERCK PATENT GMBH (DE) | 2019-10-16 | — | — | EP | disclosed |