Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 8/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | POLQ | O75417 | 1/20 | 0.35 |
| ▸ | CD38 | P28907 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | MPL | P40238 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8538736 | 0.82 | AKR1B1 (0.40) | AKR1B1P2RX7IDO1CD38CTSS | |
| SCHEMBL13791091 | 0.77 | MEP1B (0.39) | — | |
| SCHEMBL17830317 | 0.77 | AKR1B1 (0.40) | AKR1B1P2RX7IDO1CD38CTSS | |
| SCHEMBL5415312 | 0.76 | GABRA1 (0.46) | AKR1B1P2RX7IDO1POLQCD38 | |
| SCHEMBL26017719 | 0.76 | P2RX7 (0.42) | AKR1B1P2RX7IDO1CD38CTSS | |
| SCHEMBL13791152 | 0.75 | HTR2A (0.43) | IDO1 | |
| SCHEMBL18873928 | 0.74 | AKR1B1 (0.39) | AKR1B1P2RX7IDO1CD38CTSS | |
| SCHEMBL41933 | 0.74 | MAOB (0.47) | AKR1B1P2RX7IDO1CD38MPL | |
| SCHEMBL13551083 | 0.73 | EPHX2 (0.40) | AKR1B1P2RX7IDO1CD38CTSS | |
| SCHEMBL15432484 | 0.72 | P2RX7 (0.44) | AKR1B1P2RX7IDO1CD38CTSS |
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-2023118250-A1 | 8-AZA QUINAZOLINES AS BRAIN-PENETRANT SOS1-INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2023-06-29 | — | — | WO | disclosed |