Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | S100A4 | P26447 | 3/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | STAT6 | P42226 | 1/20 | 0.40 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.40 |
| ▸ | PTPRC | P08575 | 2/20 | 0.39 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3207925 | 0.86 | HKDC1 (0.55) | HKDC1S100A4TRPV1ALDH1A1CYP1A2 | |
| SCHEMBL8988676 | 0.84 | HTT (0.41) | HKDC1HTTPOLBALDH1A1CYP1A2 | |
| SCHEMBL12520177 | 0.82 | HKDC1 (0.52) | HKDC1S100A4TRPV1ALDH1A1CYP1A2 | |
| SCHEMBL29435119 | 0.79 | HKDC1 (0.65) | HKDC1S100A4TRPV1ALDH1A1CYP1A2 | |
| SCHEMBL74588 | 0.79 | HKDC1 (0.65) | HKDC1S100A4TRPV1ALDH1A1CYP1A2 | |
| SCHEMBL29413355 | 0.77 | S100A4 (0.62) | HKDC1S100A4TRPV1ALDH1A1CYP1A2 | |
| SCHEMBL28968859 | 0.77 | ALDH1A1 (0.67) | HTTPOLBS100A4ALDH1A1CYP1A2 | |
| SCHEMBL55362 | 0.77 | S100A4 (0.62) | HKDC1S100A4TRPV1ALDH1A1CYP1A2 | |
| SCHEMBL6924564 | 0.77 | PTPRC (0.58) | HKDC1S100A4TRPV1ALDH1A1CYP1A2 | |
| SCHEMBL8573732 | 0.76 | HSP90AA1 (0.53) | HKDC1HTTPOLBALDH1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5705694-A | Trinitrofluoroenonimine derivative and electrophotosensitive material using the same | MITA INDUSTRIAL CO., LTD. (JP) | 1998-01-06 | — | — | US | disclosed |
| EP-0716078-A1 | 2-Ethyl-3,5,7-trinitrofluorenonimine derivative and use as charge transport | MITA INDUSTRIAL CO. LTD. (JP) | 1996-06-12 | — | — | EP | disclosed |