Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27480093 | 0.85 | ALDH1A1 (0.52) | ALDH1A1POLBMAPTKMT2ANPC1 | |
| SCHEMBL28730331 | 0.81 | NPC1 (0.48) | ALDH1A1POLBMAPTKMT2ANPC1 | |
| SCHEMBL5390967 | 0.80 | ALDH1A1 (0.55) | ALDH1A1POLBMAPTKMT2ANPC1 | |
| SCHEMBL28306142 | 0.79 | ALDH1A1 (0.50) | ALDH1A1POLBMAPTKMT2ANPC1 | |
| SCHEMBL28287291 | 0.79 | HDAC1 (0.57) | ALDH1A1MAPTKMT2ANPC1RAB9A | |
| SCHEMBL28309396 | 0.78 | NPC1 (0.57) | ALDH1A1POLBMAPTKMT2ANPC1 | |
| SCHEMBL28124499 | 0.77 | ALDH1A1 (0.52) | ALDH1A1POLBMAPTKMT2ANPC1 | |
| SCHEMBL28816713 | 0.77 | ALDH1A1 (0.47) | ALDH1A1POLBMAPTKMT2ANPC1 | |
| SCHEMBL11497918 | 0.76 | ALDH1A1 (0.65) | ALDH1A1POLBMAPTKMT2ANPC1 | |
| SCHEMBL28229748 | 0.76 | NPC1 (0.59) | ALDH1A1POLBMAPTKMT2ANPC1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103304475-A | Benzoic amide compound as well as preparation method and application thereof | HUNAN QIANJIN XIANGJIANG PHARM CO LTD | 2013-09-18 | — | — | CN | claimed |
| CN-107162928-B | Halogenated analogs of anti-fibrotic agents | 塞尔塔医疗有限公司 | 2022-03-11 | — | — | CN | disclosed |
| CN-109516949-A | A kind of preparation method of roflumilast | 安徽省庆云医药股份有限公司 | 2019-03-26 | — | — | CN | disclosed |
| CN-109400502-A | The regulated compound of PPAR- for treating metabolic disease | 新陈代谢解决方案开发公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-105764884-B | PPAR-sparing compounds for the treatment of metabolic diseases | 新陈代谢解决方案开发公司 | 2019-01-18 | — | — | CN | disclosed |
| CN-108117515-A | A kind of preparation method for the anti-inflammatory agent roflumilast and its intermediate for inhibiting PDE4 enzymatic activitys | 董丹丹 | 2018-06-05 | — | — | CN | disclosed |
| CN-107162928-A | The halogenated analogues of antifibrotic agents | 法博太科制药有限公司 | 2017-09-15 | — | — | CN | disclosed |
| CN-103304475-A | Benzoic amide compound as well as preparation method and application thereof | HUNAN QIANJIN XIANGJIANG PHARM CO LTD | 2013-09-18 | — | — | CN | disclosed |
| WO-2011163469-A1 | HYDRATED FORM OF ANTI-INFLAMMATORY ROFLUMILAST-N-OXIDE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2011-12-29 | — | — | WO | disclosed |
| CN-102164887-A | Halogenated analogs of anti-fibrotic agents | FIBROTECH THERAPEUTICS PTY LTD | 2011-08-24 | — | — | CN | disclosed |