Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 2/20 | 0.55 |
| ▸ | ECE1 | P42892 | 3/20 | 0.51 |
| ▸ | MMP2 | P08253 | 2/20 | 0.51 |
| ▸ | MMP9 | P14780 | 2/20 | 0.51 |
| ▸ | CDK4 | P11802 | 1/20 | 0.49 |
| ▸ | CCND1 | P24385 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 1/20 | 0.49 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.48 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.48 |
| ▸ | ITGAL | P20701 | 1/20 | 0.48 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4523819 | 1.00 | HPGDS (0.55) | HPGDSECE1MMP2MMP9CDK4 | |
| SCHEMBL12845519 | 0.91 | ECE1 (0.53) | HPGDSECE1ITGB2ICAM1ITGAL | |
| SCHEMBL8264791 | 0.82 | ITGB2 (0.58) | MMP2MMP9ITGB2ICAM1ITGAL | |
| SCHEMBL4523817 | 0.80 | RUVBL1 (0.67) | CDK2KDM4EMEN1LMNAMPO | |
| SCHEMBL12782374 | 0.80 | ECE1 (0.48) | HPGDSECE1ITGB2ICAM1ITGAL | |
| SCHEMBL4535653 | 0.79 | F10 (0.47) | MMP2MMP9 | |
| SCHEMBL8264770 | 0.79 | TDP1 (0.59) | MEN1MAPTKMT2A | |
| SCHEMBL21082965 | 0.79 | FPR2 (0.65) | ECE1MMP2MMP9ITGB2ICAM1 | |
| SCHEMBL28773020 | 0.78 | DPP4 (0.43) | — | |
| SCHEMBL4525581 | 0.78 | P2RX7 (0.46) | HIF1A |
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-101253152-A | Amide derivatives as ROCK inhibitors | ASTELLAS PHARMA INC (JP) | 2008-08-27 | — | — | CN | disclosed |