Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.43 |
| ▸ | ESR1 | P03372 | 6/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL28178058 | 0.84 | CA12 (0.42) | CYP1A2ESR2ESR1PTGS1MEN1 | |
| Anthracene SCHEMBL27892288 | 0.83 | PDE3B (0.41) | CYP1A2MEN1KMT2AALDH1A1CASP1 | |
| Naphthalene SCHEMBL4047989 | 0.83 | CYP2A6 (0.40) | CYP1A2MEN1KMT2AALDH1A1HSP90AA1 | |
| Naphthalene SCHEMBL28993985 | 0.83 | CYP2A6 (0.40) | CYP1A2MEN1KMT2AALDH1A1HSP90AA1 | |
| SCHEMBL28162720 | 0.81 | PDE3B (0.40) | CYP1A2MEN1KMT2AALDH1A1CASP1 | |
| Naphthalene SCHEMBL28007049 | 0.81 | CYP2A6 (0.38) | ALDH1A1 | |
| Resorcinol SCHEMBL4240076 | 0.80 | CA12 (0.50) | MEN1KMT2AHSD17B1HSD17B2ALDH1A1 | |
| SCHEMBL27903528 | 0.79 | CYP2A6 (0.59) | CYP1A2ALDH1A1CYP3A4CYP2C9TSHR | |
| Phenol SCHEMBL1398374 | 0.77 | CA12 (0.48) | CYP1A2ESR2ESR1PTGS1MEN1 | |
| Betanaphthol SCHEMBL28781 | 0.77 | CYP1A2 (1.00) | CYP1A2ESR2ESR1PTGS1MEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105418941-B | A kind of nano composite material, preparation method and application | 北京师范大学 | 2018-03-27 | — | — | CN | disclosed |
| CN-103842467-B | Antifreeze or coolant composition with improved corrosion resistance and pH buffering property | 极东制研工业(株) | 2016-08-17 | — | — | CN | disclosed |
| CN-105418941-A | Nanometer composite material, preparing method and application | UNIV BEIJING NORMAL | 2016-03-23 | — | — | CN | disclosed |
| CN-104496969-A | Compound for renin-angiotensin-aldosterone system dual inhibitor | Zhejiang yongtai pharmaceutical co ltd | 2015-04-08 | — | — | CN | disclosed |
| CN-104496971-A | Compound used as dual inhibitor for RAAS (rennin angiotensin aldosterone system) | ZHEJIANG YONGTAI TECHNOLOGY CO LTD | 2015-04-08 | — | — | CN | disclosed |
| CN-104478992-A | Preparation method of compound for renin-angiotensin-aldosterone system double inhibitor | Zhejiang yongtai pharmaceutical co ltd | 2015-04-01 | — | — | CN | disclosed |
| CN-104447899-A | Intermediate for preparing renin-angiotensin-aldosterone system dual inhibitor compounds | ZHEJIANG YONGTAI TECHNOLOGY CO LTD | 2015-03-25 | — | — | CN | disclosed |
| CN-103842467-A | Antifreeze or coolant composition with improved corrosion resistance and pH buffering property | KUKDONG JEYEN CO LTD | 2014-06-04 | — | — | CN | disclosed |
| CN-101547918-A | Nitro derivatives as angiotensin II receptor antagonists | MERCK & CO INC (US) | 2009-09-30 | — | — | CN | disclosed |