Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | EBP | Q15125 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6939611 | 0.80 | CHRNB2 (0.42) | KDM4EALDH1A1HTT | |
| SCHEMBL6936975 | 0.79 | NPC1 (0.48) | HSD17B10SMN1; SMN2CYP1A2LTA4HCYP2D6 | |
| SCHEMBL7020323 | 0.78 | KDM4E (0.43) | KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL21770766 | 0.78 | SIGMAR1 (0.42) | SIGMAR1KDM4EBIRC5ALDH1A1HPGD | |
| SCHEMBL6937171 | 0.77 | SOAT1 (0.44) | HSD17B10SMN1; SMN2LTA4HCYP2D6 | |
| SCHEMBL21770767 | 0.76 | KDM4E (0.42) | SIGMAR1KDM4EBIRC5ALDH1A1HPGD | |
| SCHEMBL2492398 | 0.76 | HTT (0.45) | ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL9850717 | 0.76 | SOAT1 (0.47) | CYP2D6 | |
| SCHEMBL9081748 | 0.76 | SOAT1 (0.47) | CYP2D6 | |
| SCHEMBL9850722 | 0.76 | SOAT1 (0.47) | CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023177356-A2 | COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION | ENGINE BIOSCIENCES PTE. LTD. (SG) | 2023-09-21 | — | — | WO | disclosed |
| WO-2023177356-A2 | COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION | ENGINE BIOSCIENCES PTE. LTD. (SG) | 2023-09-21 | — | — | WO | disclosed |