Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 2/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.31 |
| ▸ | S100A4 | P26447 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26131204 | 1.00 | PIN1 (0.34) | PIN1AKR1B1CNR2ERN1NPC1 | |
| SCHEMBL21494408 | 0.87 | ERN1 (0.35) | PIN1AKR1B1CNR2ERN1NPC1 | |
| SCHEMBL30866891 | 0.87 | ERN1 (0.35) | PIN1AKR1B1CNR2ERN1NPC1 | |
| SCHEMBL18760026 | 0.84 | LMNA (0.40) | PIN1AKR1B1CNR2NPC1RECQL | |
| SCHEMBL25355126 | 0.83 | KDM4E (0.38) | MEN1KMT2ASMN1; SMN2MAPTLMNA | |
| SCHEMBL29970941 | 0.83 | KDM4E (0.38) | MEN1KMT2ASMN1; SMN2MAPTLMNA | |
| SCHEMBL26131845 | 0.82 | ALDH1A1 (0.41) | MEN1KMT2ASMN1; SMN2MAPTLMNA | |
| SCHEMBL29969078 | 0.82 | ALDH1A1 (0.41) | MEN1KMT2ASMN1; SMN2MAPTLMNA | |
| SCHEMBL858319 | 0.81 | MAPT (0.42) | AKR1B1ERN1NPC1RECQLRAB9A | |
| SCHEMBL28526026 | 0.81 | AKR1B1 (0.35) | PIN1AKR1B1ERN1NPC1RECQL |
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-112469720-B | Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy | 艾科思莱德制药公司 | 2024-03-29 | — | — | CN | disclosed |