Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | CCR8 | P51685 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.36 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL27623963 | 0.83 | KDM4E (0.45) | CYP2A6DHODHKDM4ELMNACYP1A2 | |
| SCHEMBL6854390 | 0.80 | KDM4E (0.37) | ERN1CYP2A6KDM4ELMNACYP1A2 | |
| SCHEMBL6854396 | 0.80 | KDM4E (0.37) | ERN1CYP2A6KDM4ELMNACYP1A2 | |
| SCHEMBL4379506 | 0.79 | KDM4E (0.55) | CYP2A6DHODHKDM4ELMNAP4HTM | |
| SCHEMBL31331903 | 0.79 | HDAC6 (0.53) | HDAC6RAB9ANPC1 | |
| SCHEMBL27585209 | 0.78 | CHEK2 (0.46) | CYP2A6DHODHKDM4ELMNACYP1A2 | |
| SCHEMBL6193707 | 0.75 | CYP2A6 (0.44) | ERN1CYP2A6KDM4ELMNACYP1A2 | |
| SCHEMBL25351483 | 0.74 | AXL (0.49) | ERN1KDM4ELMNAPOLBHDAC3 | |
| SCHEMBL6876025 | 0.72 | KDM4E (0.36) | ERN1CYP2A6KDM4ELMNACYP1A2 | |
| SCHEMBL6876032 | 0.72 | KDM4E (0.36) | ERN1CYP2A6KDM4ELMNACYP1A2 |
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-119192026-A | Green and efficient preparation method and application of beta-carbonyl nitrile | 哈尔滨理工大学 | 2024-12-27 | — | — | CN | claimed |
| CN-119192026-A | Green and efficient preparation method and application of beta-carbonyl nitrile | 哈尔滨理工大学 | 2024-12-27 | — | — | CN | disclosed |