Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 9/20 | 0.42 |
| ▸ | PLAU | P00749 | 5/20 | 0.42 |
| ▸ | F2 | P00734 | 4/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19127270 | 1.00 | ELANE (0.42) | ELANEPLAUF2HTR3ACA12 | |
| SCHEMBL19128146 | 0.86 | ELANE (0.42) | ELANEPLAUF2CTRB1KDM4E | |
| SCHEMBL19127362 | 0.85 | ELANE (0.50) | ELANEPLAUF2CTRB1MAPT | |
| SCHEMBL23093693 | 0.85 | ELANE (0.49) | ELANEPLAUF2HTR3AMAPT | |
| SCHEMBL23093689 | 0.85 | ELANE (0.41) | ELANEPLAUF2CTRB1MAPT | |
| SCHEMBL28568174 | 0.82 | ELANE (0.58) | ELANEPLAUF2HTR3AMAPT | |
| SCHEMBL30711990 | 0.79 | HTR3A (0.51) | ELANEPLAUF2HTR3AKDM4E | |
| SCHEMBL19127310 | 0.79 | HTR3A (0.51) | ELANEPLAUF2HTR3AKDM4E | |
| SCHEMBL23093692 | 0.78 | ELANE (0.43) | ELANEPLAUF2HTR3ACTRB1 | |
| SCHEMBL19149244 | 0.78 | ROCK2 (0.53) | ELANEPLAUF2 |
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-110869363-B | 5-membered and bicyclic heterocyclic amides as ROCK inhibitors | 百时美施贵宝公司 | 2024-01-05 | — | — | CN | disclosed |