Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LSS | P48449 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20158155 | 0.84 | HDAC1 (0.42) | HPGDHDAC1HDAC6RXRAMAPT | |
| SCHEMBL20157891 | 0.80 | KDM1A (0.43) | HPGDMAPTNPC1MAPK1HTT | |
| SCHEMBL21362471 | 0.78 | MAPT (0.50) | HPGDRXRAMAPTNPC1MAPK1 | |
| SCHEMBL21362817 | 0.77 | HPGD (0.39) | HPGDMAPTTAS1R3TAS1R1KDM4E | |
| SCHEMBL13445698 | 0.75 | RAB9A (0.38) | HPGDRXRAMAPTNPC1RAB9A | |
| SCHEMBL20157472 | 0.73 | CES2 (0.38) | HPGDRXRAMAPTHTTSMN1; SMN2 | |
| SCHEMBL13583809 | 0.71 | MAPK13 (0.49) | NPC1HTTRAB9AALDH1A1TDP1 | |
| SCHEMBL21362746 | 0.70 | TAS1R3 (0.35) | HPGDRXRAMAPTHTTSMN1; SMN2 | |
| SCHEMBL6744336 | 0.70 | TSHR (0.44) | HPGDHDAC1HDAC6MAPTNPC1 | |
| SCHEMBL851686 | 0.70 | LCK (0.48) | HPGDHDAC1HDAC6SMN1; SMN2KDM4E |
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-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |