Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.47 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | RHOA | P61586 | 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 | |
|---|---|---|---|---|
| Isophthalic Acid SCHEMBL27617683 | 0.79 | TSHR (0.56) | DAOKCNK3KCNK9PKML3MBTL1 | |
| SCHEMBL399246 | 0.77 | AKR1C3 (0.56) | PKML3MBTL1MEN1KMT2ACA12 | |
| SCHEMBL29556844 | 0.77 | AKR1C3 (0.56) | PKML3MBTL1MEN1KMT2ACA12 | |
| Isophthalic Acid SCHEMBL28375462 | 0.76 | CA12 (0.60) | DAOPKML3MBTL1MEN1KMT2A | |
| Isophthalic Acid SCHEMBL680956 | 0.76 | CA12 (0.60) | DAOPKML3MBTL1MEN1KMT2A | |
| SCHEMBL84678 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL4563542 | 0.75 | AKR1C3 (0.54) | PKML3MBTL1MEN1KMT2AKDM4E | |
| Isophthalic Acid SCHEMBL27777467 | 0.75 | NPC1 (0.51) | PKML3MBTL1MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL5359669 | 0.74 | — | — | |
| Isophthalic Acid SCHEMBL28778968 | 0.73 | KDM4E (0.50) | KCNK3PKML3MBTL1MEN1KMT2A |
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-102884062-B | Aminopyrimidine inhibitors of kinases | 嘉世高制药公司 | 2016-08-03 | — | — | CN | disclosed |