Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 6/20 | 0.44 |
| ▸ | CA12 | O43570 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28707496 | 1.00 | CYP2A6 (0.51) | CYP2A6CA2CA12KMT2ATPSAB1 | |
| SCHEMBL1254388 | 0.78 | CYP2A6 (0.59) | CYP2A6CA2CA12PDE10AKDM4E | |
| SCHEMBL4057654 | 0.75 | CYP2A6 (0.51) | CYP2A6CA2CA12PDE10A | |
| SCHEMBL28685300 | 0.73 | — | — | |
| SCHEMBL9593575 | 0.72 | CA2 (0.48) | CYP2A6CA2CA12KMT2AKDM4E | |
| SCHEMBL6734858 | 0.72 | CYP2A6 (0.56) | CYP2A6CA2CA12TPSAB1PDE10A | |
| SCHEMBL1774025 | 0.72 | CYP2A6 (0.66) | CYP2A6CA2CA12PDE10ADYRK1A | |
| SCHEMBL31428550 | 0.72 | HSD17B10 (0.57) | KMT2APOLBDYRK1A | |
| SCHEMBL31428522 | 0.70 | DYRK1A (0.47) | KMT2ANFATC1KDM4EPOLBTSHR | |
| SCHEMBL6737344 | 0.69 | CA2 (0.51) | CYP2A6CA2CA12TPSAB1 |
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-114075189-A | Five-membered heterocyclic acene ring compound and preparation method and medical application thereof | 南京柯菲平盛辉制药有限公司 | 2022-02-22 | — | — | CN | disclosed |