Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22828088 | 0.85 | PTGS2 (0.53) | PTGS2ADORA3TRPM5TP53NPC1 | |
| SCHEMBL22828097 | 0.83 | PTGS2 (0.76) | PTGS2 | |
| SCHEMBL22827972 | 0.81 | PTGS2 (0.70) | PTGS2TP53TSHRUSP2ALDH1A1 | |
| SCHEMBL22828092 | 0.81 | ADORA3 (0.41) | PTGS2ADORA3TRPM5HRH4KDM4E | |
| SCHEMBL22828100 | 0.78 | PTGS2 (0.67) | PTGS2TP53NPC1TSHRRAB9A | |
| SCHEMBL22827971 | 0.70 | PTGS2 (0.79) | PTGS2 | |
| SCHEMBL21593124 | 0.69 | TRPM5 (0.41) | PTGS2TRPM5HRH4NPC1TSHR | |
| SCHEMBL22827968 | 0.67 | PTGS2 (0.54) | PTGS2TP53TSHRUSP2ALDH1A1 | |
| SCHEMBL3450960 | 0.66 | ABCG2 (0.54) | TP53NPC1RAB9ALMNA | |
| SCHEMBL22828090 | 0.66 | PTGS2 (0.72) | PTGS2KDM4EALDH1A1LMNA |
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-2020257653-A1 | RADIOLABELED COMPOUNDS AND USES THEREOF | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2020-12-24 | — | — | WO | disclosed |