Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.94 |
| ▸ | LMNA | P02545 | 2/20 | 0.94 |
| ▸ | CES2 | O00748 | 1/20 | 0.68 |
| ▸ | CES1 | P23141 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.67 |
| ▸ | ACHE | P22303 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.67 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA5A | P35218 | 1/20 | 0.57 |
| ▸ | FBP1 | P09467 | 1/20 | 0.55 |
| ▸ | VCP | P55072 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Dinitrophenylene SCHEMBL36632 | 0.97 | TSHR (1.00) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL29291896 | 0.97 | TSHR (1.00) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL29834109 | 0.94 | TSHR (0.94) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL29143070 | 0.94 | TSHR (0.94) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL27759628 | 0.94 | TSHR (0.94) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL2997371 | 0.94 | TSHR (0.94) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL9733861 | 0.94 | TSHR (0.94) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL11661349 | 0.94 | TSHR (0.94) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL30600045 | 0.94 | TSHR (0.94) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL27527476 | 0.94 | TSHR (0.94) | TSHRLMNACES2CES1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106928071-A | A kind of method that selective catalytic hydrogenation reduction prepares the nitrophenol of 2 amino 4 | 九江善水科技股份有限公司 | 2017-07-07 | — | — | CN | claimed |
| CN-106928071-A | A kind of method that selective catalytic hydrogenation reduction prepares the nitrophenol of 2 amino 4 | 九江善水科技股份有限公司 | 2017-07-07 | — | — | CN | disclosed |
| CN-102174272-A | Preparation method and product of sulphur black dye | ZHEJIANG CHANGZHENG CHEMICAL CO LTD | 2011-09-07 | — | — | CN | disclosed |
| US-5086128-A | HIGH MOLECULAR WEIGHT ARYLENE SULPHIDE POLYMER MELT MIXED WITH AROMATIC NITRO COMPOUND | BAYER AKTIENGESELLSCHAFT (DE) | 1992-02-04 | — | — | US | disclosed |