Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157984 | 0.88 | NPC1 (0.38) | ACHELCKFYNALDH1A1HTT | |
| SCHEMBL20158038 | 0.87 | CYP4F2 (0.40) | ACHELCKFYNALDH1A1HTT | |
| SCHEMBL21362528 | 0.85 | LCK (0.42) | LCKFYNALDH1A1HTTRAB9A | |
| SCHEMBL20157608 | 0.84 | ALDH1A1 (0.44) | ACHEALDH1A1 | |
| SCHEMBL20158040 | 0.84 | ACHE (0.54) | ACHEALDH1A1HTTRAB9ALMNA | |
| SCHEMBL20157512 | 0.81 | NPC1 (0.46) | LCKFYNALDH1A1RAB9AKMT2A | |
| SCHEMBL20157609 | 0.80 | ALDH1A1 (0.46) | ACHEALDH1A1KMT2ANPC1 | |
| SCHEMBL20158023 | 0.80 | ABL1 (0.45) | ACHELCKFYNALDH1A1HTT | |
| SCHEMBL21564879 | 0.77 | CYP4F2 (0.37) | ALDH1A1LMNAKDM4EMEP1BCYP4F2 | |
| SCHEMBL20157772 | 0.77 | LOXL2 (0.38) | ALDH1A1HTTLMNAMAPK1KMT2A |
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 |