Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.56 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL4122797 | 1.00 | TSHR (0.62) | TSHRSLC18A3SIGMAR1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6188603 | 0.98 | TSHR (0.61) | TSHRSLC18A3SIGMAR1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6307326 | 0.98 | TSHR (0.61) | TSHRSLC18A3SIGMAR1MEN1KMT2A | |
| SCHEMBL28591860 | 0.91 | TSHR (0.56) | TSHRSLC18A3SIGMAR1MEN1KMT2A | |
| SCHEMBL2795763 | 0.91 | CYP2D6 (0.64) | TSHRSLC18A3SIGMAR1KMT2AKDM4E | |
| Trifluoroacetic Acid SCHEMBL1920549 | 0.88 | SIGMAR1 (0.57) | TSHRSLC18A3SIGMAR1MEN1KMT2A | |
| SCHEMBL108678 | 0.85 | KDM4E (0.70) | TSHRSLC18A3MEN1KMT2AKDM4E | |
| SCHEMBL16472966 | 0.85 | TSHR (0.62) | TSHRSLC18A3SIGMAR1MEN1KMT2A | |
| SCHEMBL6272336 | 0.82 | TSHR (0.60) | TSHRSLC18A3SIGMAR1MEN1KMT2A | |
| SCHEMBL8170046 | 0.82 | KDM4E (0.62) | TSHRSLC18A3MEN1KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1056744-A1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | Aventis Pharmaceuticals Inc. (US) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043675-A1 | 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMACEUTICALS INC. (US) | 1999-09-02 | — | — | WO | disclosed |