Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | RORC | P51449 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | RORB | Q92753 | 1/20 | 0.42 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29477191 | 0.83 | CES1 (0.58) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL1471234 | 0.83 | CES1 (0.58) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL28520919 | 0.78 | CES1 (0.56) | CES2CES1ALDH1A1HPGDERCC5 | |
| SCHEMBL12431222 | 0.77 | CES2 (0.60) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL1278673 | 0.76 | HPGD (0.43) | ALDH1A1POLBHPGDERCC5FEN1 | |
| SCHEMBL28514598 | 0.76 | SMN1; SMN2 (0.46) | CES1ALDH1A1POLBHPGDLMNA | |
| SCHEMBL2625461 | 0.75 | CES2 (0.58) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL7059939 | 0.73 | ALDH1A1 (0.59) | CES2CES1ALDH1A1POLBHPGD | |
| SCHEMBL28352835 | 0.73 | NR4A1 (0.55) | ALDH1A1POLBHPGDCYP1A2KDM4E | |
| SCHEMBL11768054 | 0.72 | ALDH1A1 (0.95) | CES2CES1ALDH1A1POLBHPGD |
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-112279754-A | Preparation method of beta-caryophyllene derived difluoroalkyl substituted tricyclic compound | 四川宸煜林业开发有限责任公司 | 2021-01-29 | — | — | CN | disclosed |