Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA3 | P07451 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CA6 | P23280 | 2/20 | 0.33 |
| ▸ | CA5A | P35218 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11655731 | 0.79 | HLCS (0.37) | — | |
| SCHEMBL11650709 | 0.79 | HLCS (0.37) | — | |
| SCHEMBL4998431 | 0.71 | — | — | |
| SCHEMBL4647671 | 0.71 | — | — | |
| SCHEMBL19578967 | 0.67 | SIGMAR1 (0.47) | SIGMAR1CA12CA1CA2CA3 | |
| SCHEMBL23425526 | 0.63 | — | — | |
| SCHEMBL7992691 | 0.62 | — | — | |
| SCHEMBL22582768 | 0.61 | SIGMAR1 (0.50) | SIGMAR1CA12CA1CA2CA3 | |
| SCHEMBL129839 | 0.59 | — | — | |
| SCHEMBL22684930 | 0.58 | DNM1 (1.00) | CA12CA1CA2CA3CA4 |
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-1503754-A1 | BETA-AGONIST COMPOUNDS COMPRISING NITRIC OXIDE DONOR GROUPS AND REACTIVE OXYGEN SPECIES SCAVENGER GROUPS AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISORDERS | Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) | 2005-02-09 | — | — | EP | disclosed |
| WO-2003088961-A1 | BETA-AGONIST COMPOUNDS COMPRISING NITRIC OXIDE DONOR GROUPS AND REACTIVE OXYGEN SPECIES SCAVENGER GROUPS AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISORDERS | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2003-10-30 | — | — | WO | disclosed |