Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | MYC | P01106 | 1/20 | 0.32 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.32 |
| ▸ | SLC9A5 | Q14940 | 1/20 | 0.32 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL31192059 | 0.84 | HCAR3 (0.35) | MAPK1ALDH1A1NPC1RAB9ANOTUM | |
| SCHEMBL24440171 | 0.84 | MAPK1 (0.33) | MAPK1SLC9A1SLC9A5SLC9A2 | |
| SCHEMBL27188251 | 0.81 | PTGS1 (0.37) | MAPK1SLC9A1SLC9A5SLC9A2 | |
| Acrylic Acid SCHEMBL28804123 | 0.77 | LMNA (0.34) | LMNAMAP3K14ALDH1A1 | |
| SCHEMBL1987212 | 0.76 | HSD17B3 (0.36) | LMNAMAPK1 | |
| SCHEMBL24440168 | 0.74 | LMNA (0.38) | LMNAALDH1A1NOTUMMEN1KMT2A | |
| SCHEMBL12180437 | 0.66 | ALDH1A1 (0.40) | LMNAMAP3K14ALDH1A1MEN1KMT2A | |
| SCHEMBL24440185 | 0.66 | LMNA (0.37) | LMNAMAPK1ALDH1A1NPC1RAB9A | |
| SCHEMBL1988784 | 0.66 | MAPK1 (0.44) | MAPK1NPC1RAB9ANOTUMKMT2A | |
| SCHEMBL24440165 | 0.65 | CXCR5 (0.36) | LMNAMAPK1ALDH1A1MEN1KMT2A |
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-2022103752-A1 | RAPID CONSTRUCTION OF TETRALIN, CHROMANE, AND INDANE MOTIFS VIA CYCLATIVE C-H/C-H COUPLING | THE SCRIPPS RESEARCH INSTITUTE (US) | 2022-05-19 | — | — | WO | disclosed |