Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157480 | 0.91 | ALDH1A1 (0.46) | ALDH1A1TAS1R3TAS1R1CYP1A2CYP2C19 | |
| SCHEMBL21564711 | 0.86 | ALDH1A1 (0.43) | ALDH1A1TAS1R3TAS1R1CYP1A2CYP2C19 | |
| SCHEMBL20157488 | 0.84 | HTT (0.49) | ALDH1A1TAS1R3TAS1R1CYP1A2CYP2C19 | |
| SCHEMBL20157483 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL21362793 | 0.79 | PKM (0.49) | ALDH1A1TAS1R3TAS1R1CYP1A2CYP2C19 | |
| SCHEMBL20157609 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TAS1R3TAS1R1CYP1A2CYP2C19 | |
| SCHEMBL21550011 | 0.78 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL20157647 | 0.78 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL20157564 | 0.76 | LMNA (0.42) | ALDH1A1HPGDNPC1KMT2AMEN1 | |
| SCHEMBL21362519 | 0.76 | KMT2A (0.44) | HPGDKMT2AMAPTMEN1 |
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 |