Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | TSPO | P30536 | 1/20 | 0.44 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29944951 | 1.00 | AKR1B1 (0.57) | AKR1B1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL11418789 | 0.82 | AKR1B1 (0.46) | AKR1B1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7122788 | 0.82 | ALDH1A1 (0.50) | AKR1B1HSP90AA1HSP90AB1HTR1AALDH1A1 | |
| SCHEMBL1956074 | 0.81 | AKR1B1 (0.61) | AKR1B1CYP2D6HSPA5HTR1A | |
| SCHEMBL5083791 | 0.80 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19MEN1 | |
| SCHEMBL29379067 | 0.80 | HSD17B10 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C19MEN1 | |
| SCHEMBL19098912 | 0.80 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19MEN1 | |
| SCHEMBL11313798 | 0.80 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19MEN1 | |
| SCHEMBL11864159 | 0.79 | HSP90AA1 (0.50) | CYP1A2CYP3A4CYP2C19HSP90AA1HSP90AB1 | |
| SCHEMBL10483799 | 0.77 | POLB (0.64) | CYP1A2CYP3A4CYP2D6CYP2C19MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115232020-A | Method for synthesizing N, N-diethyl-2-hydroxyphenylacetamide and analogue thereof and application thereof | 百新(北京)药业科技有限责任公司 | 2022-10-25 | — | — | CN | claimed |
| CN-115232020-A | Method for synthesizing N, N-diethyl-2-hydroxyphenylacetamide and analogue thereof and application thereof | 百新(北京)药业科技有限责任公司 | 2022-10-25 | — | — | CN | disclosed |
| CN-115232020-A | Method for synthesizing N, N-diethyl-2-hydroxyphenylacetamide and analogue thereof and application thereof | 百新(北京)药业科技有限责任公司 | 2022-10-25 | — | — | CN | disclosed |
| CN-115232020-A | Method for synthesizing N, N-diethyl-2-hydroxyphenylacetamide and analogue thereof and application thereof | 百新(北京)药业科技有限责任公司 | 2022-10-25 | — | — | CN | disclosed |
| WO-2011120475-A1 | A METHOD OF MANUFACTURING (S)-5-METHOXY-2-[[(4-METHOXY-3,5-DIMETHYL-2- PYRIMIDINYL)METHYL]SULFINYL]-1H-BENZIMIDAZOLE USING A CHIRAL COMPLEX WITH MANDELIC ACID | ZENTIVA, K.S. (CZ) | 2011-10-06 | — | — | WO | disclosed |