Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | DRD1 | P21728 | 9/20 | 0.55 |
| ▸ | DRD2 | P14416 | 8/20 | 0.55 |
| ▸ | DRD4 | P21917 | 6/20 | 0.55 |
| ▸ | DRD5 | P21918 | 8/20 | 0.55 |
| ▸ | DRD3 | P35462 | 7/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7847887 | 0.85 | KDM4E (0.55) | KDM4EDRD1DRD2DRD4DRD5 | |
| SCHEMBL7849271 | 0.85 | TMEM97 (0.57) | KDM4EDRD1DRD2DRD4DRD5 | |
| SCHEMBL7846425 | 0.82 | SIGMAR1 (0.65) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL7847794 | 0.81 | DRD2 (0.58) | KDM4EDRD1DRD2DRD4DRD5 | |
| SCHEMBL25058892 | 0.78 | HDAC1 (0.66) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL7838698 | 0.77 | LMNA (0.47) | LMNAACHE | |
| SCHEMBL11457338 | 0.76 | DRD1 (0.60) | KDM4EDRD1DRD2DRD4DRD5 | |
| SCHEMBL7847207 | 0.76 | ACHE (0.49) | LMNAACHE | |
| SCHEMBL14234936 | 0.75 | CYP2C19 (0.67) | KDM4EKMT2AMAPTCYP2A13LMNA | |
| Hydrochloric Acid SCHEMBL7846296 | 0.74 | CXCR4 (0.53) | DRD2DRD4KCNH2ACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-1122252-A1 | NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-08 | — | — | EP | disclosed |