Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22712501 | 1.00 | KDM4E (0.49) | KDM4ERAB9ATP53HSD17B10ALDH1A1 | |
| SCHEMBL22712525 | 0.92 | KDM4E (0.54) | KDM4ERAB9ATP53HSD17B10ALDH1A1 | |
| SCHEMBL29365189 | 0.86 | KDM4E (0.68) | KDM4ERAB9ATP53HSD17B10ALDH1A1 | |
| SCHEMBL22712515 | 0.86 | KDM4E (0.68) | KDM4ERAB9ATP53HSD17B10ALDH1A1 | |
| SCHEMBL26938200 | 0.86 | KDM4E (0.49) | KDM4ERAB9ATP53HSD17B10ALDH1A1 | |
| SCHEMBL8036018 | 0.84 | KDM4E (0.56) | KDM4ERAB9ATP53HSD17B10ALDH1A1 | |
| SCHEMBL22712460 | 0.80 | KDM4E (0.52) | KDM4ERAB9ATP53HSD17B10ALDH1A1 | |
| SCHEMBL30250379 | 0.80 | KDM4E (0.52) | KDM4ERAB9ATP53HSD17B10ALDH1A1 | |
| SCHEMBL22712437 | 0.78 | ALDH1A1 (0.53) | KDM4ERAB9ATP53HSD17B10ALDH1A1 | |
| SCHEMBL22712492 | 0.77 | KDM4E (0.42) | KDM4ERAB9ATP53HSD17B10ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115215923-A | Macrocyclic broad spectrum antibiotics | 豪夫迈·罗氏有限公司 | 2022-10-21 | — | — | CN | disclosed |
| CN-114007605-B | Macrocyclic broad spectrum antibiotics | 豪夫迈·罗氏有限公司 | 2022-07-15 | — | — | CN | disclosed |
| CN-114007605-A | Macrocyclic broad spectrum antibiotics | 豪夫迈·罗氏有限公司 | 2022-02-01 | — | — | CN | disclosed |