Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 2/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17518792 | 0.84 | SLC18A3 (0.52) | ALDH1A1POLBSLC18A3RAB9ALMNA | |
| SCHEMBL27957974 | 0.83 | MAPT (0.60) | ALDH1A1POLBRAB9ALMNAMAPK1 | |
| SCHEMBL12447962 | 0.82 | ALDH1A1 (0.71) | ALDH1A1POLBRAB9ALMNAMAPK1 | |
| SCHEMBL12447346 | 0.82 | ALDH1A1 (0.71) | ALDH1A1POLBRAB9ALMNAMAPK1 | |
| SCHEMBL17516279 | 0.81 | PDE4B (0.53) | ALDH1A1POLBSLC18A3RAB9ALMNA | |
| SCHEMBL21714255 | 0.78 | SLC18A3 (0.55) | ALDH1A1SLC18A3RAB9ALMNAFAAH | |
| SCHEMBL14035659 | 0.75 | ALDH1A1 (0.61) | ALDH1A1POLBRAB9ALMNAMAPK1 | |
| SCHEMBL14321103 | 0.75 | ALDH1A1 (0.50) | ALDH1A1POLBSLC18A3RAB9ALMNA | |
| SCHEMBL15692311 | 0.75 | EPHX2 (0.57) | ALDH1A1SLC18A3RAB9ALMNAMAPT | |
| SCHEMBL19097366 | 0.75 | EPHX2 (0.57) | CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014160592-A2 | FACTOR XIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-10-02 | — | — | WO | disclosed |