Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | USP1 | O94782 | 3/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.36 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | PRKDC | P78527 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29351994 | 1.00 | TSHR (0.40) | TSHRMEN1KMT2ASMN1; SMN2PKM | |
| SCHEMBL28682712 | 0.85 | SMN1; SMN2 (0.46) | TSHRMEN1KMT2ASMN1; SMN2PKM | |
| SCHEMBL30292034 | 0.80 | MAPT (0.36) | SMN1; SMN2PKMHPGDPOLB | |
| SCHEMBL29197534 | 0.80 | MAPT (0.36) | SMN1; SMN2PKMHPGDPOLB | |
| SCHEMBL4184836 | 0.75 | PDE4A (0.43) | TSHRSMN1; SMN2LMNAHPGDADORA2A | |
| SCHEMBL29197556 | 0.70 | SMN1; SMN2 (0.36) | SMN1; SMN2PKMLMNAHPGDNPC1 | |
| SCHEMBL1693503 | 0.67 | HPGD (0.54) | TSHRHPGDUSP1ALDH1A1KDM4E | |
| SCHEMBL20367292 | 0.66 | TRPC5 (0.35) | HPGDUSP1ADORA2A | |
| SCHEMBL30328166 | 0.65 | HPGD (0.38) | HPGDUSP1 | |
| SCHEMBL5802963 | 0.65 | TSHR (0.58) | TSHRLMNANPC1RAB9AKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116406272-A | DNA-PK selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2023-07-07 | — | — | CN | disclosed |
| CN-114907384-A | DNA-PK selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2022-08-16 | — | — | CN | disclosed |
| CN-114605414-A | DNA-PK selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2022-06-10 | — | — | CN | disclosed |
| CN-113956272-A | DNA-PK selective inhibitor and preparation method and application thereof | 首药控股(北京)有限公司 | 2022-01-21 | — | — | CN | disclosed |