Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTN3A1 | O00481 | 1/20 | 0.49 |
| ▸ | ELANE | P08246 | 2/20 | 0.45 |
| ▸ | PRTN3 | P24158 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KLK1 | P06870 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18973565 | 0.90 | BTN3A1 (0.48) | BTN3A1ELANEPRTN3AAK1KLK1 | |
| SCHEMBL18973684 | 0.89 | BTN3A1 (0.52) | BTN3A1ELANEPRTN3MEN1KMT2A | |
| SCHEMBL18973698 | 0.87 | BTN3A1 (0.48) | BTN3A1ELANEPRTN3LRRK2AAK1 | |
| SCHEMBL18973553 | 0.87 | BTN3A1 (0.48) | BTN3A1ELANEPRTN3LRRK2 | |
| SCHEMBL18973578 | 0.86 | BTN3A1 (0.46) | BTN3A1ELANEPRTN3MEN1KMT2A | |
| SCHEMBL24505391 | 0.85 | BTN3A1 (0.60) | BTN3A1ELANEPRTN3MEN1KMT2A | |
| SCHEMBL18973549 | 0.85 | BTN3A1 (0.60) | BTN3A1ELANEPRTN3MEN1KMT2A | |
| SCHEMBL18973681 | 0.81 | BTN3A1 (0.53) | BTN3A1ELANEPRTN3MEN1KMT2A | |
| SCHEMBL18973558 | 0.81 | BTN3A1 (0.49) | BTN3A1ELANEPRTN3KLK1NPC1 | |
| SCHEMBL18973570 | 0.81 | BTN3A1 (0.49) | BTN3A1ELANEPRTN3KLK1 |
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-2017098252-A1 | DIASTEREOSELECTIVE SYNTHESIS OF PHOSPHATE DERIVATIVES AND OF THE GEMCITABINE PRODRUG NUC-1031 | NUCANA BIOMED LIMITED (GB) | 2017-06-15 | — | — | WO | disclosed |