Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 4/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 3/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157996 | 0.83 | — | — | |
| SCHEMBL22867977 | 0.80 | S1PR3 (0.40) | S1PR3ADRB2AOC3IDO1TDO2 | |
| SCHEMBL20157701 | 0.80 | LMNA (0.39) | S1PR3S1PR1BRD4MAPK1 | |
| SCHEMBL21351937 | 0.79 | S1PR3 (0.41) | S1PR3S1PR1BRD4CREBBPCNR1 | |
| SCHEMBL20157702 | 0.78 | ATM (0.40) | S1PR3S1PR1BRD4AOC3CREBBP | |
| SCHEMBL2514419 | 0.77 | IDO1 (0.40) | S1PR3BRD4ADRB2AOC3IDO1 | |
| SCHEMBL20157869 | 0.75 | PSEN1 (0.38) | S1PR3HDAC4HDAC7HDAC5CNR1 | |
| SCHEMBL30623480 | 0.75 | MAPK1 (0.41) | S1PR3S1PR1IDO1TDO2CNR1 | |
| SCHEMBL29366263 | 0.75 | MAPK1 (0.41) | S1PR3S1PR1CNR1MAPK1 | |
| SCHEMBL21362710 | 0.74 | CYP2C9 (0.39) | BRD4AOC3CREBBPMAPK1 |
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 |