Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20158035 | 0.87 | ABL1 (0.36) | ABL1RIN1L3MBTL1MAPTHPGD | |
| SCHEMBL20157895 | 0.81 | TOP2A (0.37) | ABL1RIN1L3MBTL1MAPTHPGD | |
| SCHEMBL20157992 | 0.81 | TOP2A (0.40) | ABL1RIN1L3MBTL1MAPTHPGD | |
| SCHEMBL21352139 | 0.81 | MAPT (0.40) | ABL1RIN1L3MBTL1MAPTHPGD | |
| SCHEMBL20158171 | 0.77 | LMNA (0.41) | ABL1RIN1L3MBTL1MAPTHPGD | |
| SCHEMBL20157481 | 0.75 | TOP2A (0.39) | ABL1RIN1L3MBTL1MAPTHPGD | |
| SCHEMBL21362749 | 0.73 | TRPA1 (0.48) | ABL1RIN1L3MBTL1MAPTHPGD | |
| SCHEMBL20158027 | 0.73 | ABL1 (0.48) | ABL1RIN1L3MBTL1MAPTHPGD | |
| SCHEMBL21564876 | 0.72 | LMNA (0.34) | L3MBTL1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL24826176 | 0.71 | MGAM (0.40) | RAB9ALMNAMAPK1CYP1A2CYP2C9 |
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 |