Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15858033 | 0.86 | ALDH1A1 (0.60) | ALDH1A1POLBHTTPLA2G2ALMNA | |
| SCHEMBL25200012 | 0.85 | PLA2G2A (0.44) | ALDH1A1POLBPLA2G2ATP53MCHR1 | |
| SCHEMBL12864428 | 0.84 | MCHR1 (0.52) | ALDH1A1POLBRAB9ALMNATP53 | |
| SCHEMBL13740047 | 0.83 | ALDH1A1 (0.49) | ALDH1A1POLB | |
| SCHEMBL15858043 | 0.82 | SIGMAR1 (0.51) | POLBAPPHRH3 | |
| SCHEMBL15858005 | 0.81 | ALDH1A1 (0.53) | ALDH1A1POLBRAB9AHTTDPP4 | |
| SCHEMBL31053528 | 0.79 | GPR183 (0.36) | ALDH1A1POLBPLA2G2ALMNADPP4 | |
| SCHEMBL25189870 | 0.79 | GPR183 (0.36) | ALDH1A1POLBPLA2G2ALMNADPP4 | |
| SCHEMBL17897294 | 0.78 | RAB9A (0.49) | ALDH1A1POLBRAB9AHTTDPP4 | |
| SCHEMBL13739336 | 0.77 | P2RX7 (0.39) | ALDH1A1HTR6 |
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-2021222522-A1 | CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |