Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29147666 | 0.96 | HTR1B (0.39) | HTR1BKMT2AMAPK1CYP1A2CYP2C19 | |
| Anthracene SCHEMBL28827369 | 0.90 | HTR1B (0.43) | HTR1BKMT2AMAPK1CYP1A2CYP2C19 | |
| SCHEMBL28827376 | 0.90 | HTR1B (0.43) | HTR1BKMT2AMAPK1CYP1A2CYP2C19 | |
| SCHEMBL3414896 | 0.80 | CA2 (0.44) | HTR1BKMT2ACYP1A2CYP2C19MEN1 | |
| Anthracene SCHEMBL28584681 | 0.80 | CA2 (0.44) | HTR1BKMT2ACYP1A2CYP2C19MEN1 | |
| SCHEMBL18837359 | 0.78 | HTR1B (0.52) | HTR1BKMT2AMAPK1CYP1A2CYP2C19 | |
| SCHEMBL17912798 | 0.74 | KCNA3 (0.53) | HTR1BKMT2AMEN1CYP2C9CYP3A4 | |
| SCHEMBL17912877 | 0.74 | KCNA3 (0.53) | HTR1BKMT2AMEN1CYP2C9CYP3A4 | |
| SCHEMBL20678360 | 0.74 | KCNA3 (0.53) | HTR1BKMT2AMEN1CYP2C9CYP3A4 | |
| SCHEMBL585194 | 0.74 | KCNA3 (0.53) | HTR1BKMT2AMEN1CYP2C9CYP3A4 |
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-114957237-A | D (A-Ar) taking alkyl modified vat orange 3 as central nucleus 2 Synthesis and application of small organic molecules | 东华理工大学 | 2022-08-30 | — | — | CN | disclosed |