Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 12/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 2/20 | 0.52 |
| ▸ | THRA | P10827 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL22094945 | 0.84 | THRB (0.48) | HPGDMAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL22095447 | 0.84 | THRB (0.59) | THRBTHRA | |
| SCHEMBL25855470 | 0.80 | HPGD (0.73) | HPGDMAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL30124854 | 0.78 | ALDH1A1 (0.64) | MAPTALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL27518071 | 0.77 | HPGD (0.74) | HPGDMAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL16284337 | 0.77 | HPGD (0.68) | HPGDMAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL29039490 | 0.76 | HPGD (0.63) | HPGDMAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL573146 | 0.76 | HPGD (1.00) | HPGDMAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL10651251 | 0.76 | HPGD (0.68) | HPGDMAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL3837554 | 0.76 | HPGD (1.00) | HPGDMAPTALDH1A1CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116262739-A | Nitrogen-containing aryl derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-06-16 | — | — | CN | disclosed |