Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 5/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPY1R | P25929 | 1/20 | 0.38 |
| ▸ | NPY2R | P49146 | 1/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20158012 | 0.92 | PPARG (0.40) | TP53PPARGPPARAMAPTNPC1 | |
| SCHEMBL20157868 | 0.90 | SMN1; SMN2 (0.45) | TP53MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21362424 | 0.88 | SMN1; SMN2 (0.40) | PPARGPPARAMAPTNPC1RAB9A | |
| SCHEMBL20157584 | 0.80 | CA12 (0.44) | LCKPPARGPPARAMAPTNPC1 | |
| SCHEMBL21564976 | 0.80 | KCNQ4 (0.39) | NPC1SMN1; SMN2ALDH1A1LMNAHPGD | |
| SCHEMBL21362535 | 0.79 | SMN1; SMN2 (0.43) | LCKMAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6856839 | 0.77 | PDK1 (0.58) | LCKMAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL6056066 | 0.77 | RAB9A (0.54) | MAPTNPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL28190043 | 0.76 | CA12 (0.40) | LCKNPC1RAB9AHTTRXFP1 | |
| SCHEMBL21564978 | 0.76 | ALDH1A1 (0.39) | LCKMAPTRAB9ASMN1; 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 2 patents. 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 |
| 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 |