Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 5/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19674326 | 0.83 | LMNA (0.37) | ALDH1A1TDP1ARSLC6A2SLC6A4 | |
| SCHEMBL8014256 | 0.78 | MAPT (0.37) | ALDH1A1ARLMNAMAPTSMN1; SMN2 | |
| SCHEMBL19674316 | 0.74 | P2RX3 (0.34) | ALDH1A1ARSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL21041219 | 0.71 | GSK3B (0.38) | ALDH1A1TDP1HRH4HRH3ABCB11 | |
| SCHEMBL6554556 | 0.70 | ALDH1A1 (0.41) | ALDH1A1ARLMNAMAPTCYP3A4 | |
| SCHEMBL28385314 | 0.70 | MAPT (0.38) | ALDH1A1TDP1ARLMNAMAPT | |
| SCHEMBL25350465 | 0.69 | KDM4E (0.43) | ALDH1A1TDP1HRH4HRH3ABCB11 | |
| SCHEMBL11333958 | 0.68 | TYR (0.47) | ALDH1A1LMNAMAPTPOLB | |
| SCHEMBL25571450 | 0.66 | CRBN (0.52) | — | |
| SCHEMBL12903822 | 0.66 | ALDH1A1 (0.54) | ALDH1A1TDP1LMNAMAPTPOLB |
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-2464228-B1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK SHARP & DOHME (US) | 2017-12-06 | — | — | EP | disclosed |