Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.37 |
| ▸ | ITGAV | P06756 | 1/20 | 0.37 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | MC3R | P41968 | 1/20 | 0.37 |
| ▸ | MC1R | Q01726 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.35 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.35 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | BCL2 | P10415 | 1/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4046868 | 0.94 | ITGB1 (0.37) | ALDH1A1ITGB1ITGAVKCNQ1P2RX7 | |
| SCHEMBL4050328 | 0.91 | SCN9A (0.39) | MC4RMC3RMC1RP2RX7F2 | |
| SCHEMBL6211316 | 0.90 | CTSK (0.43) | ALDH1A1ITGB1ITGAVMC4RMC3R | |
| SCHEMBL4043465 | 0.90 | MC4R (0.41) | MC4RMC3RMC1RP2RX7TSHR | |
| SCHEMBL4047882 | 0.89 | F2 (0.36) | ALDH1A1ITGB1ITGAVKCNQ1TSHR | |
| SCHEMBL4041901 | 0.89 | P2RX7 (0.39) | ITGB1P2RX7ITGA4ITGB7 | |
| SCHEMBL4051777 | 0.88 | CTSK (0.44) | ALDH1A1KCNQ1 | |
| SCHEMBL4048312 | 0.87 | KCNQ1 (0.40) | ALDH1A1KCNQ1TSHR | |
| SCHEMBL4040214 | 0.85 | GPR132 (0.39) | MC4RMC3RMC1RTSHRSCN9A | |
| SCHEMBL4047615 | 0.84 | CTSB (0.38) | F2GPR132BCL2 |
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-1546150-B1 | PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES | AMURA THERAPEUTICS LTD (GB) | 2009-03-04 | — | — | EP | claimed |