Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTO1 | P78417 | 1/20 | 0.51 |
| ▸ | MCL1 | Q07820 | 5/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12932911 | 0.82 | ALDH1A1 (0.47) | MCL1MGAMNR3C1PGRHPGD | |
| SCHEMBL10153817 | 0.81 | SMN1; SMN2 (0.48) | NR3C1LMNACCR2 | |
| SCHEMBL2372705 | 0.81 | MCL1 (0.62) | GSTO1MCL1CA12CA1CA2 | |
| SCHEMBL11512510 | 0.79 | MCL1 (0.61) | GSTO1MCL1CA12CA1CA2 | |
| SCHEMBL2525525 | 0.79 | LMNA (0.65) | MCL1LMNA | |
| SCHEMBL13855836 | 0.79 | GSTO1 (0.53) | GSTO1MCL1VCAM1CA12CA1 | |
| SCHEMBL11512517 | 0.79 | MCL1 (0.61) | GSTO1MCL1CA12CA1CA2 | |
| SCHEMBL9322506 | 0.78 | GSTO1 (0.51) | GSTO1MCL1VCAM1CA12CA1 | |
| SCHEMBL9322517 | 0.78 | KMT2A (0.56) | GSTO1MCL1VCAM1CA12CA1 | |
| SCHEMBL375209 | 0.78 | ALDH1A1 (0.42) | LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3675858-B1 | IMIDAZO[1,5-A]PYRAZINE COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION | OPTIKIRA LLC (US) | 2023-04-26 | — | — | EP | disclosed |