Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | MMP12 | P39900 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL7038954 | 0.77 | ALDH1A1 (0.37) | ALDH1A1KDM4EMAPTTHRBALOX15 | |
| Hydrochloric Acid SCHEMBL11522602 | 0.75 | ALDH1A1 (0.35) | ALDH1A1KDM4EMAPTTHRBALOX15 | |
| SCHEMBL11520168 | 0.75 | CA2 (0.37) | ALDH1A1SMN1; SMN2CA2 | |
| SCHEMBL26755291 | 0.74 | ALDH1A1 (0.38) | ALDH1A1KDM4EMAPTTHRBALOX15 | |
| SCHEMBL3958639 | 0.70 | KDM4E (0.33) | ALDH1A1KDM4EMAPTTHRBALOX15 | |
| SCHEMBL30731382 | 0.69 | CA2 (0.39) | ALDH1A1KDM4EMAPTTHRBALOX15 | |
| SCHEMBL9671218 | 0.67 | — | — | |
| SCHEMBL16208338 | 0.67 | — | — | |
| SCHEMBL13692 | 0.66 | — | — | |
| SCHEMBL14157901 | 0.66 | TRPV1 (0.46) | ALDH1A1KDM4EMAPTTHRBALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-4170641-A | 1-N-(ω-aminoalkanesulfonyl) derivative of aminoglycosidic antibiotic and process for preparation thereof | MEIJI SEIKA KAISHA, LTD. (JP) | 1979-10-09 | — | — | US | disclosed |