Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12290947 | 0.77 | TSHR (0.37) | CYP2C9CYP2C19TSHRMAPK1ATM | |
| SCHEMBL20157869 | 0.76 | PSEN1 (0.38) | TSHRNPSR1TP53MDM2CYP3A4 | |
| SCHEMBL18113374 | 0.76 | LMNA (0.45) | MAPK1TDP1AKR1C3AKR1C2MEN1 | |
| SCHEMBL21362758 | 0.74 | S1PR3 (0.38) | MAPK1AOC3BRD4CREBBP | |
| SCHEMBL11290692 | 0.74 | AOC3 (0.39) | CYP2C9CYP2C19MAPK1TDP1AOC3 | |
| SCHEMBL11857826 | 0.72 | CNR2 (0.39) | CYP2C9CYP2C19MAPK1MEN1LMNA | |
| SCHEMBL22867977 | 0.72 | S1PR3 (0.40) | TSHRMAPK1ATMTDP1AOC3 | |
| SCHEMBL30986731 | 0.72 | TSHR (0.42) | CYP2C9CYP2C19TSHRMAPK1ATM | |
| SCHEMBL5377768 | 0.72 | TSHR (0.42) | CYP2C9CYP2C19TSHRMAPK1ATM | |
| SCHEMBL30802067 | 0.72 | TSHR (0.42) | CYP2C9CYP2C19TSHRMAPK1ATM |
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 |