Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.72 |
| ▸ | MAPT | P10636 | 3/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.72 |
| ▸ | MEN1 | O00255 | 2/20 | 0.72 |
| ▸ | POLB | P06746 | 2/20 | 0.72 |
| ▸ | APAF1 | O14727 | 1/20 | 0.72 |
| ▸ | RECQL | P46063 | 1/20 | 0.72 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.72 |
| ▸ | LMNA | P02545 | 1/20 | 0.72 |
| ▸ | MPO | P05164 | 1/20 | 0.72 |
| ▸ | TSHR | P16473 | 1/20 | 0.72 |
| ▸ | BLM | P54132 | 1/20 | 0.72 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.72 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.72 |
| ▸ | DNMT1 | P26358 | 3/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL2406326 | 0.94 | KDM4E (0.69) | SMN1; SMN2KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL9402455 | 0.91 | SMN1; SMN2 (0.67) | SMN1; SMN2KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL4987528 | 0.88 | SMN1; SMN2 (0.76) | SMN1; SMN2KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL4989677 | 0.88 | SMN1; SMN2 (0.63) | SMN1; SMN2KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL9449541 | 0.88 | SMN1; SMN2 (0.77) | SMN1; SMN2KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL4628875 | 0.87 | KDM4E (0.77) | SMN1; SMN2KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL14458882 | 0.87 | KDM4E (0.77) | SMN1; SMN2KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL13762546 | 0.87 | KDM4E (0.77) | SMN1; SMN2KDM4EMAPTKMT2AMEN1 | |
| Tryptophan SCHEMBL7781895 | 0.86 | KMT2A (0.97) | SMN1; SMN2KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL891879 | 0.85 | SMN1; SMN2 (1.00) | SMN1; SMN2KDM4EMAPTKMT2AMEN1 |
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-2000078938-A9 | MOLECULAR MODELING FOR METALLOPROTEINS | MAYO FOUNDATION (US) | 2001-08-09 | — | — | WO | disclosed |
| WO-2000078938-A1 | MOLECULAR MODELING FOR METALLOPROTEINS | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2000-12-28 | — | — | WO | disclosed |