Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MERTK | Q12866 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | GALR2 | O43603 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TXNRD1 | Q16881 | 2/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | G6PD | P11413 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL28182405 | 0.89 | ALDH1A1 (0.39) | ALDH1A1HTTTDP1KDM4EMAPT | |
| SCHEMBL16601878 | 0.88 | ALDH1A1 (0.41) | ALDH1A1HTTTDP1KDM4EMAPT | |
| SCHEMBL23620108 | 0.87 | ALDH1A1 (0.40) | ALDH1A1HTTTDP1KDM4EMAPT | |
| SCHEMBL25790212 | 0.87 | ALDH1A1 (0.40) | ALDH1A1HTTTDP1KDM4EMAPT | |
| SCHEMBL22437345 | 0.87 | ALDH1A1 (0.40) | ALDH1A1HTTTDP1KDM4EMAPT | |
| SCHEMBL29829625 | 0.87 | ALDH1A1 (0.40) | ALDH1A1HTTTDP1KDM4EMAPT | |
| SCHEMBL19814151 | 0.87 | MERTK (0.44) | ALDH1A1HTTTDP1KDM4EMAPT | |
| SCHEMBL9794409 | 0.87 | MAPT (0.41) | ALDH1A1HTTTDP1KDM4EMAPT | |
| SCHEMBL215155 | 0.83 | CYP1A2 (0.41) | ALDH1A1HTTTDP1KDM4EMAPT | |
| SCHEMBL22437214 | 0.82 | POLB (0.46) | ALDH1A1TDP1KDM4EMAPTLMNA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102344411-A | Method for preparing 2,6-dimethoxy-3,5-diamido-pyridine hydrochloride | YIXING XINYU CHEMICAL CO LTD | 2012-02-08 | — | — | CN | claimed |
| CN-107266376-A | A kind of nitramine derivatives of LLM 105 and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2017-10-20 | — | — | CN | disclosed |
| US-9082983-B1 | Solution processable thin-film transistors | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2015-07-14 | — | — | US | disclosed |
| US-8993713-B1 | Solution processable n-type ladder polymer for hetero-junction devices | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2015-03-31 | — | — | US | disclosed |
| CN-102344411-A | Method for preparing 2,6-dimethoxy-3,5-diamido-pyridine hydrochloride | YIXING XINYU CHEMICAL CO LTD | 2012-02-08 | — | — | CN | disclosed |
| CN-102304084-A | Method for preparing 2,6-diemthyl-3,5-binitropyridine | YIXING XINYU CHEMICAL CO LTD | 2012-01-04 | — | — | CN | disclosed |
| US-4713080-A | OXIDATIVE COLORING | WELLA AKTIENGESELLSCHAFT (DE) | 1987-12-15 | — | — | US | disclosed |