Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SLC9A1 | P19634 | 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 | |
|---|---|---|---|---|
| SCHEMBL10892274 | 0.86 | CA12 (0.47) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL11567274 | 0.85 | CA12 (0.45) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL23753577 | 0.84 | MEN1 (0.57) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL27593853 | 0.83 | LMNA (0.47) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL28890049 | 0.81 | MEN1 (0.53) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL10893735 | 0.80 | KDM4E (0.49) | MEN1KMT2AKDM4ENPC1RAB9A | |
| SCHEMBL5260935 | 0.79 | MEN1 (0.52) | MEN1KMT2AKIF11 | |
| SCHEMBL23753572 | 0.79 | MCL1 (0.56) | MEN1KMT2AKDM4ENPC1RAB9A | |
| SCHEMBL17242255 | 0.77 | MEN1 (0.53) | MEN1KMT2ACA1CA2TSHR | |
| SCHEMBL14543275 | 0.77 | KMT2A (0.53) | MEN1KMT2ATSHRKIF11KDM4E |
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-113754591-A | HDAC, JAK and BET three-target inhibitor and preparation method and application thereof | 山东大学 | 2021-12-07 | — | — | CN | disclosed |
| CN-109071543-B | Pyridine derivatives inhibiting RAF kinase and vascular endothelial growth factor receptor, process for their preparation, pharmaceutical compositions containing them and their use | 三进制药株式会社 | 2021-07-16 | — | — | CN | disclosed |