Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | LIG1 | P18858 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157693 | 0.89 | MAPT (0.49) | MAPK1POLBALDH1A1MAPTHTT | |
| SCHEMBL20157492 | 0.86 | MAPT (0.57) | MAPK1POLBALDH1A1MAPTHTT | |
| SCHEMBL20157680 | 0.86 | POLB (0.42) | MAPK1POLBALDH1A1MAPTHTT | |
| SCHEMBL21362622 | 0.82 | MAPT (0.46) | MAPK1POLBALDH1A1MAPTHTT | |
| SCHEMBL11017388 | 0.74 | MAPT (0.54) | MAPK1POLBALDH1A1MAPTHTT | |
| SCHEMBL20157674 | 0.74 | MAPT (0.50) | MAPK1POLBMAPTHTTNPC1 | |
| SCHEMBL21550431 | 0.73 | HPGD (0.44) | POLBALDH1A1LMNAPKMHPGD | |
| SCHEMBL17755 | 0.72 | ALDH1A1 (0.51) | MAPK1POLBALDH1A1MAPTHTT | |
| SCHEMBL2241001 | 0.72 | MAPK1 (0.58) | MAPK1POLBALDH1A1MAPTHTT | |
| SCHEMBL3468181 | 0.72 | SRD5A2 (0.50) | MAPK1POLBALDH1A1MAPTHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |