Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 4/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.34 |
| ▸ | ITGB7 | P26010 | 4/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9802801 | 0.89 | CYP2C9 (0.40) | NR4A2PDE4DABCC3ABCB11HMGCR | |
| SCHEMBL9803108 | 0.84 | HMGCR (0.34) | ITGB1ITGA4ITGB7NR4A2PDE4D | |
| SCHEMBL9803360 | 0.82 | HMGCR (0.47) | NR4A2PDE4DNR1I2ABCC3ABCB11 | |
| SCHEMBL9803352 | 0.82 | HMGCR (0.47) | NR4A2PDE4DNR1I2ABCC3ABCB11 | |
| SCHEMBL9803192 | 0.80 | — | — | |
| SCHEMBL9616647 | 0.80 | — | — | |
| SCHEMBL9802811 | 0.80 | HMGCR (0.36) | NR4A2PDE4DABCC3ABCB11HMGCR | |
| SCHEMBL9803466 | 0.72 | TRPA1 (0.31) | PGR | |
| SCHEMBL9749704 | 0.72 | PTGS2 (0.32) | ITGB1ITGA4ITGB7HMGCRPTGS2 | |
| SCHEMBL9749709 | 0.72 | PTGS2 (0.32) | ITGB1ITGA4ITGB7HMGCRPTGS2 |
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-5001128-A | HMG-COA reductase inhibitors | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1991-03-19 | — | — | US | disclosed |
| WO-1990010444-A1 | NOVEL HMG-CoA REDUCTASE INHIBITORS | RORER INTERNATIONAL (HOLDINGS), INC. (US) | 1990-09-20 | — | — | WO | disclosed |
| US-4904691-A | Novel HMG-CoA reductase inhibitors | RORER PHARMACEUTICAL CORPORATION (US) | 1990-02-27 | — | — | US | disclosed |