Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TXNRD1 | Q16881 | 5/20 | 0.36 |
| ▸ | TXNRD3 | Q86VQ6 | 5/20 | 0.36 |
| ▸ | TXNRD2 | Q9NNW7 | 5/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | G6PD | P11413 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | PRNP | P04156 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9681760 | 0.79 | ALDH1A1 (0.39) | CYP3A4TXNRD1TXNRD3TXNRD2MAPT | |
| SCHEMBL9846198 | 0.73 | MAPT (0.46) | MAPTALDH1A1NPC1LMNAPOLB | |
| SCHEMBL13143782 | 0.68 | HMGCR (0.69) | HMGCRCYP3A4TYRALDH1A1TUBB1 | |
| SCHEMBL12621133 | 0.67 | HMGCR (0.73) | HMGCRCYP3A4TYRALDH1A1 | |
| SCHEMBL13324430 | 0.67 | HMGCR (0.73) | HMGCRCYP3A4TYRALDH1A1 | |
| SCHEMBL13498711 | 0.67 | HMGCR (0.73) | HMGCRCYP3A4TYRALDH1A1 | |
| SCHEMBL9680298 | 0.65 | PDE4A (0.44) | DHFRMAPTALDH1A1 | |
| SCHEMBL18040228 | 0.64 | BCHE (0.40) | TXNRD1TXNRD3TXNRD2NOS2 | |
| SCHEMBL12409512 | 0.64 | BCHE (0.40) | TXNRD1TXNRD3TXNRD2NOS2 | |
| SCHEMBL18040229 | 0.64 | BCHE (0.40) | TXNRD1TXNRD3TXNRD2NOS2 |
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 |