Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.58 |
| ▸ | LTA4H | P09960 | 4/20 | 0.57 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8420664 | 0.91 | KCNA3 (0.59) | NPC1RAB9AFFAR1LTA4HDRD2 | |
| SCHEMBL7619641 | 0.87 | FFAR1 (0.66) | NPC1RAB9AFFAR1LTA4HDRD2 | |
| SCHEMBL8498709 | 0.86 | FFAR1 (0.64) | NPC1RAB9AFFAR1LTA4HDRD2 | |
| SCHEMBL1562483 | 0.86 | LTA4H (0.70) | FFAR1LTA4HEPHX2 | |
| SCHEMBL4516286 | 0.86 | KCNA3 (0.57) | FFAR1DRD2DRD4DRD3S1PR1 | |
| SCHEMBL28533454 | 0.85 | FFAR1 (0.67) | NPC1RAB9AFFAR1LTA4HCA12 | |
| SCHEMBL9456979 | 0.84 | NPC1 (0.80) | NPC1RAB9AFFAR1LTA4HDRD2 | |
| SCHEMBL8422546 | 0.83 | KCNA3 (0.64) | NPC1RAB9AFFAR1LTA4HDRD2 | |
| SCHEMBL5542045 | 0.82 | NPC1 (0.61) | NPC1RAB9AFFAR1LTA4HDRD2 | |
| SCHEMBL5542414 | 0.81 | NPC1 (0.59) | NPC1RAB9AFFAR1LTA4HDRD2 |
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 3 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 | disclosed |
| US-5567841-A | ANTICHOLESTEROL AGENT | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-10-22 | — | — | US | disclosed |
| US-5470845-A | Methods of using α-phosphonosulfonate squalene synthetase inhibitors including the treatment of atherosclerosis and hypercholesterolemia | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-11-28 | — | — | US | disclosed |