Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157806 | 0.90 | HTT (0.49) | MAPTHTTNPSR1ALDH1A1POLB | |
| SCHEMBL29582110 | 0.89 | POLB (0.59) | MAPTHTTNPSR1ALDH1A1POLB | |
| SCHEMBL18125724 | 0.89 | POLB (0.59) | MAPTHTTNPSR1ALDH1A1POLB | |
| SCHEMBL20157840 | 0.89 | HTT (0.48) | MAPTHTTNPSR1ALDH1A1POLB | |
| SCHEMBL21362390 | 0.87 | UCHL1 (0.50) | MAPTHTTNPSR1ALDH1A1POLB | |
| SCHEMBL29272831 | 0.81 | SMN1; SMN2 (0.48) | MAPTALDH1A1POLBNPC1UCHL1 | |
| SCHEMBL29853895 | 0.80 | KDM4E (0.49) | MAPTHTTNPSR1ALDH1A1POLB | |
| SCHEMBL19946115 | 0.80 | KDM4E (0.49) | MAPTHTTNPSR1ALDH1A1POLB | |
| SCHEMBL20157375 | 0.79 | NPC1 (0.47) | MAPTHTTNPSR1ALDH1A1POLB | |
| SCHEMBL20157423 | 0.75 | SRD5A2 (0.36) | MAPTHTTALDH1A1UCHL1KMT2A |
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 |