Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157944 | 0.86 | MAPT (0.46) | MAPTHTTALDH1A1NPC1RAB9A | |
| SCHEMBL21351881 | 0.85 | ALDH1A1 (0.43) | MAPTHTTSMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL21362509 | 0.83 | MAPT (0.45) | MAPTHTTSMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL24199867 | 0.81 | HTT (0.45) | MAPTHTTSMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL1253373 | 0.80 | MAPT (0.44) | MAPTHTTSMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL1252259 | 0.76 | NPC1 (0.55) | MAPTHTTSMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL3678183 | 0.74 | ALDH1A1 (0.47) | MAPTHTTSMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL24199843 | 0.74 | MAPT (0.51) | MAPTHTTSMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL4968823 | 0.74 | MAPT (0.51) | MAPTHTTSMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL4967215 | 0.73 | HSD17B10 (0.47) | MAPTHTTSMN1; SMN2ALDH1A1NPC1 |
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 |