Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3624482 | 0.85 | NFE2L2 (0.53) | CA1CA2KDM4ELMNAHPGD | |
| SCHEMBL19558330 | 0.79 | ELANE (0.51) | CA1CA2TP53ALDH1A1KDM4E | |
| SCHEMBL15495765 | 0.79 | CA1 (0.45) | CA1CA2TP53ALDH1A1KDM4E | |
| SCHEMBL186826 | 0.78 | MAPT (0.67) | CA1CA2TP53ALDH1A1KDM4E | |
| SCHEMBL3373821 | 0.78 | LMNA (0.55) | CA1CA2TP53ALDH1A1KDM4E | |
| SCHEMBL1955193 | 0.77 | CA12 (0.50) | CA1CA2TP53ALDH1A1KDM4E | |
| SCHEMBL3898449 | 0.77 | MAPT (0.64) | CA1CA2TP53ALDH1A1KDM4E | |
| SCHEMBL3952526 | 0.77 | CA1 (0.59) | CA1CA2TP53ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL22291108 | 0.77 | TP53 (0.64) | CA1CA2TP53ALDH1A1KDM4E | |
| SCHEMBL3889690 | 0.77 | MAPT (0.64) | CA1CA2TP53ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-115515588-A | Macrocyclic ULK1/2 inhibitors | 萨克生物研究学院 | 2022-12-23 | — | — | CN | disclosed |