Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.60 |
| ▸ | THRB | P10828 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | CASP1 | P29466 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.37 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19623267 | 0.82 | ALDH1A1 (0.46) | ALDH1A1CYP3A4L3MBTL1THRBTP53 | |
| SCHEMBL7025738 | 0.79 | CYP3A4 (0.57) | ALDH1A1CYP3A4L3MBTL1THRBTP53 | |
| SCHEMBL8559868 | 0.77 | ALDH1A1 (0.82) | ALDH1A1CYP3A4L3MBTL1THRBTP53 | |
| SCHEMBL18784088 | 0.76 | ALDH1A1 (0.58) | ALDH1A1CYP3A4L3MBTL1THRBTP53 | |
| SCHEMBL8559160 | 0.75 | SMN1; SMN2 (0.52) | ALDH1A1CYP3A4L3MBTL1THRBTP53 | |
| SCHEMBL49805 | 0.75 | ALDH1A1 (1.00) | ALDH1A1CYP3A4L3MBTL1THRBTP53 | |
| SCHEMBL7809681 | 0.75 | TDP1 (0.46) | ALDH1A1CYP3A4L3MBTL1THRBALOX15 | |
| SCHEMBL11739266 | 0.74 | L3MBTL1 (0.46) | ALDH1A1CYP3A4L3MBTL1THRBTP53 | |
| SCHEMBL20762923 | 0.74 | ALDH1A1 (0.50) | ALDH1A1CYP3A4L3MBTL1THRBTP53 | |
| SCHEMBL2963582 | 0.73 | ALDH1A1 (0.67) | ALDH1A1CYP3A4L3MBTL1THRBTP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3245213-B1 | BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | BRISTOL MYERS SQUIBB CO (US) | 2020-03-04 | — | — | EP | disclosed |