Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.37 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.37 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL8270843 | 0.84 | TDP1 (0.40) | TDP1ATMALDH1A1CYP3A4HIF1A | |
| SCHEMBL13999989 | 0.80 | ALDH1A1 (0.51) | TDP1ATMALDH1A1CYP3A4HIF1A | |
| SCHEMBL13195393 | 0.77 | HCAR3 (0.39) | TDP1ATMALDH1A1HIF1AVCAM1 | |
| SCHEMBL33135 | 0.77 | TDP1 (0.34) | TDP1ATMALDH1A1CYP3A4HIF1A | |
| SCHEMBL29595940 | 0.77 | TDP1 (0.52) | TDP1ATMALDH1A1CYP3A4HIF1A | |
| SCHEMBL564506 | 0.77 | TDP1 (0.52) | TDP1ATMALDH1A1CYP3A4HIF1A | |
| SCHEMBL30110723 | 0.77 | TDP1 (0.52) | TDP1ATMALDH1A1CYP3A4HIF1A | |
| SCHEMBL3990674 | 0.77 | TDP1 (0.52) | TDP1ATMALDH1A1CYP3A4HIF1A | |
| SCHEMBL1967460 | 0.75 | LMNA (0.42) | TDP1ALDH1A1CYP3A4GPR35ALOX15 | |
| SCHEMBL27011524 | 0.75 | MAPT (0.41) | TDP1ATMALDH1A1CYP3A4GPR35 |
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-3816163-A1 | CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) | 2021-05-05 | — | — | EP | disclosed |