Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.33 |
| ▸ | WNT3A | P56704 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | STS | P08842 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21351855 | 0.91 | CXCR2 (0.38) | MAPTUCHL1ALDH1A1KDM4ESTS | |
| SCHEMBL20157811 | 0.80 | SRD5A2 (0.36) | TP53MAPTHTTUCHL1ALDH1A1 | |
| SCHEMBL20157423 | 0.80 | SRD5A2 (0.36) | TP53MAPTHTTUCHL1ALDH1A1 | |
| SCHEMBL20158141 | 0.79 | MAPT (0.41) | TP53MAPTHTTNPSR1CTNNB1 | |
| SCHEMBL20157482 | 0.77 | UCHL1 (0.38) | MAPTUCHL1ALDH1A1POLBNPC1 | |
| SCHEMBL20157413 | 0.76 | UCHL1 (0.46) | TP53MAPTHTTNPSR1UCHL1 | |
| SCHEMBL21352020 | 0.74 | UCHL1 (0.35) | UCHL1POLB | |
| SCHEMBL21352023 | 0.74 | ACHE (0.41) | MAPTHTTUCHL1ALDH1A1KDM4E | |
| SCHEMBL20157806 | 0.74 | HTT (0.49) | MAPTHTTNPSR1UCHL1ALDH1A1 | |
| SCHEMBL20157598 | 0.74 | MAPT (0.52) | TP53MAPTHTTNPSR1UCHL1 |
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 |