Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2R | P25116 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | PKM | P14618 | 3/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157803 | 0.83 | CES2 (0.47) | HTTCES2CES1KMT2A | |
| SCHEMBL21352048 | 0.83 | LCK (0.38) | MAPTSMN1; SMN2HTTALDH1A1MEN1 | |
| SCHEMBL21352170 | 0.81 | HPGD (0.43) | PKMLMNAALOX15MAPK1CES2 | |
| SCHEMBL5188661 | 0.81 | CES2 (0.47) | MAPTPKMRIPK1SMN1; SMN2LMNA | |
| SCHEMBL20157850 | 0.80 | MAPT (0.39) | F2RMAPTPKMRIPK1SMN1; SMN2 | |
| SCHEMBL20157556 | 0.79 | LMNA (0.44) | MAPTSMN1; SMN2LMNAHTTKDM4E | |
| SCHEMBL21550083 | 0.78 | KMT2A (0.42) | CES2CES1KMT2A | |
| SCHEMBL21564952 | 0.76 | NOTUM (0.47) | MAPTSMN1; SMN2LMNAHTTKDM4E | |
| SCHEMBL21362565 | 0.75 | MAPT (0.36) | F2RMAPTSMN1; SMN2LMNAHTT | |
| SCHEMBL20157805 | 0.75 | NPC1 (0.35) | MAPTSMN1; SMN2LMNAHTTMAPK1 |
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 |