Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30106771 | 0.80 | SMN1; SMN2 (0.43) | SMN1; SMN2XDHSLC22A12KDM4EALDH1A1 | |
| SCHEMBL24524513 | 0.76 | KDM4E (0.37) | SMN1; SMN2XDHSLC22A12KDM4EALDH1A1 | |
| SCHEMBL30305680 | 0.74 | BCL2L1 (0.45) | SMN1; SMN2XDHSLC22A12KDM4EALDH1A1 | |
| SCHEMBL30054908 | 0.73 | KDM4E (0.41) | SMN1; SMN2KDM4EALDH1A1HPGDMAPT | |
| SCHEMBL3656258 | 0.72 | ESR2 (0.42) | ESR1ESR2CYP3A4CYP2C9 | |
| SCHEMBL24524553 | 0.72 | KDM4E (0.40) | SMN1; SMN2KDM4EALDH1A1HPGDMAPT | |
| SCHEMBL4971096 | 0.72 | SMN1; SMN2 (0.47) | SMN1; SMN2SLC22A12KDM4EALDH1A1HPGD | |
| SCHEMBL22618608 | 0.71 | MAOA (0.37) | KDM4EALDH1A1MAPTMAOAMAOB | |
| SCHEMBL22618607 | 0.71 | MAOA (0.37) | KDM4EALDH1A1MAPTMAOAMAOB | |
| SCHEMBL4974071 | 0.71 | ALDH1A1 (0.43) | SMN1; SMN2XDHSLC22A12KDM4EALDH1A1 |
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-115298176-A | Compounds and their use in the treatment of bacterial infections | 豪夫迈·罗氏有限公司 | 2022-11-04 | — | — | CN | disclosed |