Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
| ▸ | WNT3A | P56704 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21352150 | 0.88 | ALDH1A1 (0.43) | MAPTHTTNPSR1ALDH1A1HPGD | |
| SCHEMBL20158141 | 0.84 | MAPT (0.41) | MAPTHTTNPSR1ALDH1A1HPGD | |
| SCHEMBL20158002 | 0.83 | MAPT (0.50) | MAPTHTTNPSR1ALDH1A1HPGD | |
| SCHEMBL20157995 | 0.81 | MAPT (0.44) | MAPTHTTNPSR1ALDH1A1NPC1 | |
| SCHEMBL20157944 | 0.78 | MAPT (0.46) | MAPTHTTNPSR1ALDH1A1HPGD | |
| SCHEMBL17185753 | 0.77 | LCK (0.49) | MAPTHTTALDH1A1HPGDLCK | |
| SCHEMBL1658627 | 0.75 | HPGD (0.54) | MAPTALDH1A1HPGDCYP1A2CYP2D6 | |
| SCHEMBL7627046 | 0.74 | MAPT (0.54) | MAPTHTTNPSR1ALDH1A1HPGD | |
| SCHEMBL20157316 | 0.74 | MAPT (0.61) | MAPTHTTNPSR1ALDH1A1HPGD | |
| SCHEMBL7626545 | 0.74 | MAPT (0.65) | MAPTHTTNPSR1ALDH1A1HPGD |
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 |