Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.31 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.31 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.31 |
| ▸ | HMGCR | P04035 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9749704 | 1.00 | PTGS2 (0.32) | PTGS2SLC6A4SLC6A3MEN1ALDH1A1 | |
| SCHEMBL9748884 | 0.80 | SLC6A4 (0.33) | PTGS2SLC6A4SLC6A3MEN1ALDH1A1 | |
| SCHEMBL9748877 | 0.80 | SLC6A4 (0.33) | PTGS2SLC6A4SLC6A3MEN1ALDH1A1 | |
| SCHEMBL9577647 | 0.75 | MTNR1A (0.34) | MEN1ALDH1A1LMNAMAPTHPGD | |
| SCHEMBL9577656 | 0.75 | MTNR1A (0.34) | MEN1ALDH1A1LMNAMAPTHPGD | |
| SCHEMBL9744491 | 0.74 | PTGS2 (0.39) | PTGS2MEN1ALDH1A1LMNAMAPT | |
| SCHEMBL9744496 | 0.74 | PTGS2 (0.39) | PTGS2MEN1ALDH1A1LMNAMAPT | |
| SCHEMBL9577567 | 0.73 | HMGCR (0.49) | PTGS2HMGCR | |
| SCHEMBL9803101 | 0.72 | ITGB1 (0.34) | PTGS2ITGB1ITGA4ITGB7HMGCR | |
| SCHEMBL9803192 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5114964-A | Aryl-substituted benzocycloalkyl-derived anti-atherosclerotic agents | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1992-05-19 | — | — | US | disclosed |