Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14010502 | 0.86 | KDM4E (0.47) | KDM4EHSD17B10HPGDALDH1A1ESR1 | |
| SCHEMBL16599001 | 0.83 | CA12 (0.54) | KDM4EALDH1A1CA12CA1CA2 | |
| SCHEMBL14010479 | 0.83 | KDM4E (0.49) | KDM4EHSD17B10HPGDALDH1A1ESR1 | |
| SCHEMBL11280439 | 0.81 | KDM4E (0.68) | KDM4EHSD17B10HPGDALDH1A1ESR1 | |
| SCHEMBL17986292 | 0.81 | CA12 (0.51) | KDM4EALDH1A1CA12CA1CA2 | |
| SCHEMBL15928842 | 0.81 | CA12 (0.45) | HSD17B10HPGDALDH1A1CA12CA1 | |
| SCHEMBL4322746 | 0.80 | ALDH1A1 (0.50) | KDM4EHSD17B10HPGDALDH1A1CA12 | |
| SCHEMBL4846409 | 0.78 | ESR1 (0.69) | KDM4EHSD17B10HPGDALDH1A1ESR1 | |
| SCHEMBL186313 | 0.78 | CA12 (0.56) | HPGDALDH1A1CA12CA1CA2 | |
| SCHEMBL11273464 | 0.78 | KDM4E (0.64) | KDM4EHSD17B10HPGDALDH1A1ESR1 |
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-1336602-A1 | Nitrate prodrugs able to release nitric oxide in a controlled and selective way and their use for prevention and treatment of inflammatory, ischemic and proliferative diseases | Scaramuzzino, Giovanni (IT) | 2003-08-20 | — | — | EP | disclosed |