Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | PYGL | P06737 | 3/20 | 0.35 |
| ▸ | APAF1 | O14727 | 1/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.35 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 3/20 | 0.34 |
| ▸ | HTR2C | P28335 | 3/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20158041 | 0.92 | RAB9A (0.39) | RAB9ANPC1MAPTLCKFYN | |
| SCHEMBL20158043 | 0.83 | RAB9A (0.41) | RAB9ANPC1MAPTLCKFYN | |
| SCHEMBL20157488 | 0.81 | HTT (0.49) | RAB9ANPC1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL20158038 | 0.80 | CYP4F2 (0.40) | RAB9ANPC1MAPTLCKFYN | |
| SCHEMBL21564711 | 0.79 | ALDH1A1 (0.43) | RAB9ANPC1MAPTAKR1C3AKR1C2 | |
| SCHEMBL20158044 | 0.76 | NPC1 (0.35) | RAB9ANPC1MAPTLCKFYN | |
| SCHEMBL21564942 | 0.73 | MKNK1 (0.36) | RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL20158085 | 0.72 | HTT (0.50) | RAB9ANPC1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL20157647 | 0.72 | ALDH1A1 (0.44) | RAB9ANPC1MAPTLCKFYN | |
| SCHEMBL21362792 | 0.72 | ALDH1A1 (0.44) | NPC1MAPTLCKFYNALDH1A1 |
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 |