Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28880018 | 0.86 | CFD (0.43) | GAAALDH1A1USP2LMNATTR | |
| SCHEMBL21455342 | 0.81 | PKM (0.50) | NLRP3PKML3MBTL1ALDH1A1CYP4F2 | |
| SCHEMBL23229045 | 0.81 | PKM (0.47) | NLRP3PKML3MBTL1GAACYP4F2 | |
| SCHEMBL25900213 | 0.80 | PKM (0.49) | NLRP3PKML3MBTL1ALDH1A1CYP4F2 | |
| SCHEMBL7258344 | 0.80 | PKM (0.49) | NLRP3PKML3MBTL1GAAALDH1A1 | |
| SCHEMBL23656551 | 0.79 | CYP4F2 (0.49) | NLRP3PKML3MBTL1ALDH1A1CYP4F2 | |
| SCHEMBL68340 | 0.79 | PKM (0.60) | NLRP3PKML3MBTL1ALDH1A1CYP4F2 | |
| SCHEMBL6901376 | 0.77 | ALDH1A1 (0.44) | GAAALDH1A1KMT2A | |
| SCHEMBL4579114 | 0.77 | PKM (0.49) | NLRP3PKML3MBTL1ALDH1A1CYP4F2 | |
| SCHEMBL7219075 | 0.77 | NLRP3 (0.55) | NLRP3PKML3MBTL1GAAALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110563652-B | Intermediate compound, carbamazepine and derivatives thereof, and preparation method of oxcarbazepine and derivatives thereof | 新发药业有限公司 | 2021-01-22 | — | — | CN | disclosed |
| CN-110563652-A | intermediate compound, carbamazepine and derivatives thereof, and preparation method of oxcarbazepine and derivatives thereof | 新发药业有限公司 | 2019-12-13 | — | — | CN | disclosed |