Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | ICMT | O60725 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | BCR | P11274 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23175609 | 0.87 | HTR6 (0.48) | HTR6BRD4ALDH1A1HPGD | |
| SCHEMBL23175643 | 0.77 | DYRK1A (0.42) | ABL1 | |
| SCHEMBL23652392 | 0.76 | MEN1 (0.37) | SRCALDH1A1HPGD | |
| SCHEMBL23176011 | 0.76 | CHRM1 (0.43) | BRD4GSK3B | |
| SCHEMBL10528461 | 0.75 | MAPT (0.35) | ALDH1A1HPGD | |
| SCHEMBL21013783 | 0.74 | EGLN1 (0.33) | EGLN1MCL1CA12CA9ICMT | |
| SCHEMBL8352769 | 0.73 | PLK1 (0.33) | ALDH1A1HPGDCYP2A6 | |
| SCHEMBL26013022 | 0.73 | CTSC (0.35) | — | |
| SCHEMBL23175728 | 0.73 | GSK3B (0.37) | BRD4ALDH1A1GSK3B | |
| SCHEMBL21533252 | 0.72 | S1PR4 (0.36) | ALDH1A1ABL1 |
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-2023159120-A1 | CERTAIN N-(1-CYANO-2-PHENYLETHYL)-1,4-OXAZEPANE-2-CARBOXAMIDES FOR TREATING HIDRADENITIS SUPPURATIVA | INSMED INCORPORATED (US) | 2023-08-24 | — | — | WO | disclosed |