Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157757 | 0.86 | LMNA (0.50) | NPC1RAB9ASMN1; SMN2LMNAMAPT | |
| SCHEMBL20157580 | 0.73 | LMNA (0.37) | RAB9ASMN1; SMN2LMNAMAPTKMT2A | |
| SCHEMBL20157814 | 0.73 | KMT2A (0.41) | NPC1RAB9ALMNAMAPTKMT2A | |
| SCHEMBL20157553 | 0.72 | POLB (0.36) | SMN1; SMN2LMNAHPGDALDH1A1 | |
| SCHEMBL20158008 | 0.72 | HPGD (0.40) | NPC1RAB9ALMNAMAPTHPGD | |
| SCHEMBL20157918 | 0.71 | MAPT (0.48) | NPC1RAB9ASMN1; SMN2LMNAMAPT | |
| SCHEMBL20157960 | 0.71 | SRD5A2 (0.49) | NPC1RAB9ALMNAMAPTRXRA | |
| SCHEMBL21362717 | 0.71 | CES2 (0.38) | NPC1RAB9ASMN1; SMN2MAPTRXRA | |
| SCHEMBL7995645 | 0.71 | RAB9A (0.57) | NPC1RAB9ASMN1; SMN2LMNAMAPT | |
| SCHEMBL4967339 | 0.70 | MAPT (0.47) | NPC1RAB9ASMN1; SMN2MAPTKMT2A |
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 |