Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20059323 | 0.85 | CA12 (0.39) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL21870773 | 0.80 | TDP1 (0.43) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL1453462 | 0.76 | TDP1 (0.46) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL28255718 | 0.74 | TDP1 (0.45) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL5430418 | 0.71 | TDP1 (0.42) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL17413354 | 0.71 | ALDH1A1 (0.32) | TSHRALDH1A1CYP3A4ATM | |
| SCHEMBL22105323 | 0.68 | TDP1 (0.42) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL29460268 | 0.67 | TDP1 (0.50) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL8744961 | 0.67 | TDP1 (0.50) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL18287038 | 0.67 | — | — |
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-2253614-B1 | Inhibitors of IAP | NOVARTIS AG (CH) | 2012-09-19 | — | — | EP | disclosed |