Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 3/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL7110307 | 0.76 | CYP3A4 (0.45) | CYP3A4CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL9133639 | 0.76 | TSHR (0.49) | CYP3A4CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL67123 | 0.75 | CES2 (0.50) | TSHRRAB9ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12880577 | 0.72 | CES2 (0.48) | TSHRRAB9ACES2CES1TRPA1 | |
| SCHEMBL29013793 | 0.72 | HDAC8 (0.40) | CYP3A4CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL27894665 | 0.72 | GABRA1 (0.44) | GABRA1GABRB2ALDH1A1RXRARXRB | |
| SCHEMBL5084745 | 0.71 | HDAC8 (0.42) | CYP3A4CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL7523154 | 0.71 | IDO1 (0.56) | CYP3A4CYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL1653852 | 0.69 | HDAC8 (0.41) | CYP3A4CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL1791718 | 0.69 | IDO1 (0.44) | CYP3A4CYP1A2CYP2C9TSHRCYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113549062-B | Chiral quaternary ammonium salt phase transfer catalyst with high steric hindrance derived from cinchona alkaloid and synthesis method thereof | 南京工业大学 | 2022-08-09 | — | — | CN | claimed |
| CN-113549062-B | Chiral quaternary ammonium salt phase transfer catalyst with high steric hindrance derived from cinchona alkaloid and synthesis method thereof | 南京工业大学 | 2022-08-09 | — | — | CN | disclosed |
| CN-113549062-A | Chiral quaternary ammonium salt phase transfer catalyst with high steric hindrance derived from cinchona alkaloid and synthesis method thereof | 南京工业大学 | 2021-10-26 | — | — | CN | disclosed |