Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | DRD4 | P21917 | 2/20 | 0.49 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.49 |
| ▸ | UBE2M | P61081 | 1/20 | 0.48 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13478880 | 0.87 | ALDH1A1 (0.58) | ACHEALDH1A1KDM4EGAAATM | |
| SCHEMBL19658477 | 0.85 | CCR5 (0.55) | ALDH1A1KDM4EATMKMT2ADRD4 | |
| SCHEMBL19658841 | 0.85 | TACR2 (0.55) | ALDH1A1ATMKMT2ADRD4CXCR4 | |
| SCHEMBL19658482 | 0.84 | ACHE (0.56) | ACHEALDH1A1KMT2ADRD4CYP2A13 | |
| SCHEMBL19658471 | 0.82 | NOS3 (0.48) | ACHEALDH1A1LMNADRD2HTR2A | |
| SCHEMBL9030647 | 0.82 | SIGMAR1 (0.67) | ACHEOPRM1DRD2HTR2AHTR2C | |
| SCHEMBL19658472 | 0.78 | KCNH2 (0.53) | ACHEALDH1A1KDM4EDRD2HTR2A | |
| SCHEMBL13173127 | 0.77 | ALDH1A1 (0.50) | ACHEALDH1A1KDM4EGAAATM | |
| SCHEMBL19658974 | 0.76 | DRD2 (0.54) | ALDH1A1KDM4EKMT2ADRD4UBE2M | |
| SCHEMBL19658478 | 0.75 | CCR5 (0.58) | OPRM1HTR2A |
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-103396399-B | Nitrogenated aromatic 6-membered ring derivative, and pharmaceutical agent comprising same | DAIICHI SANKYO CO LTD | 2015-04-29 | — | — | CN | claimed |