Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ICAM1 | P05362 | 1/20 | 0.39 |
| ▸ | SELE | P16581 | 1/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | FDFT1 | P37268 | 2/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8625452 | 0.86 | AKR1C3 (0.35) | KDM4EALDH1A1FDFT1 | |
| SCHEMBL9167354 | 0.85 | FDFT1 (0.55) | FDFT1 | |
| SCHEMBL8621528 | 0.83 | HTR2A (0.40) | ALDH1A1FDFT1ADRB2ADRB1 | |
| SCHEMBL8624696 | 0.83 | FDFT1 (0.37) | FDFT1 | |
| SCHEMBL8624779 | 0.81 | FDFT1 (0.35) | FDFT1THRATHRB | |
| Sulfuric Acid SCHEMBL1678480 | 0.78 | ICAM1 (0.47) | ICAM1SELEVCAM1KDM4EALDH1A1 | |
| Phosphoric Acid SCHEMBL4078188 | 0.78 | ICAM1 (0.47) | ICAM1SELEVCAM1KDM4EALDH1A1 | |
| SCHEMBL8625443 | 0.77 | KDM4E (0.38) | KDM4EFDFT1ADRB2 | |
| Phosphoric Acid SCHEMBL23302571 | 0.77 | ICAM1 (0.46) | ICAM1SELEVCAM1KDM4EALDH1A1 | |
| Sulfuric Acid SCHEMBL9770145 | 0.77 | ICAM1 (0.46) | ICAM1SELEVCAM1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5712396-A | PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS | MAGNIN DAVID R (US) | 1998-01-27 | — | — | US | claimed |
| US-5712396-A | PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS | MAGNIN DAVID R (US) | 1998-01-27 | — | — | US | disclosed |