Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CCR3 | P51677 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | RORC | P51449 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28303768 | 1.00 | OPRL1 (0.54) | OPRL1POLBKMT2AKDM4ECCR3 | |
| SCHEMBL4484154 | 0.90 | OPRL1 (0.61) | OPRL1POLBKMT2AKDM4ECCR3 | |
| SCHEMBL16345324 | 0.87 | MEN1 (0.49) | OPRL1POLBKMT2AKDM4ECCR3 | |
| SCHEMBL31751492 | 0.79 | CYP3A4 (0.50) | OPRL1POLBKMT2AKDM4ECYP3A4 | |
| SCHEMBL8565039 | 0.79 | POLB (0.52) | OPRL1POLBKMT2AKDM4ECCR3 | |
| SCHEMBL8199005 | 0.78 | OPRL1 (0.62) | OPRL1POLBKMT2AKDM4ECCR3 | |
| SCHEMBL27190912 | 0.78 | CYP3A4 (0.49) | OPRL1POLBKMT2AKDM4ECYP3A4 | |
| SCHEMBL8573303 | 0.78 | CYP2D6 (0.48) | OPRL1POLBCYP3A4HSD17B10GAA | |
| SCHEMBL31751711 | 0.77 | CYP3A4 (0.47) | OPRL1POLBKMT2AKDM4ECYP3A4 | |
| SCHEMBL1965410 | 0.76 | OPRL1 (0.55) | OPRL1POLBKMT2AKDM4ECCR3 |
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-110054614-B | Pharmaceutically acceptable salts of triazine IDH inhibitors and preparation method thereof | 南京圣和药业股份有限公司 | 2021-12-28 | — | — | CN | disclosed |
| CN-110054616-B | Preparation method of triazine IDH inhibitor | 南京圣和药业股份有限公司 | 2021-11-23 | — | — | CN | disclosed |