Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28347545 | 0.87 | KMT2A (0.50) | ALDH1A1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| Ethyl Benzoate SCHEMBL28212266 | 0.84 | CYP2C19 (0.57) | RAB9ASMN1; SMN2CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL28347790 | 0.83 | CYP1A2 (0.54) | ALDH1A1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL4958404 | 0.82 | CYP2C19 (0.51) | ALDH1A1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL30786693 | 0.80 | CES2 (0.61) | ALDH1A1KMT2AHPGDPOLBNPSR1 | |
| SCHEMBL1994068 | 0.80 | CES2 (0.61) | ALDH1A1KMT2AHPGDPOLBNPSR1 | |
| SCHEMBL28360896 | 0.78 | NPSR1 (0.50) | MRGPRX4ALDH1A1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL28347357 | 0.78 | ALDH1A1 (0.50) | MRGPRX4ALDH1A1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL27425778 | 0.76 | MAPT (0.55) | ALDH1A1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL7471216 | 0.75 | MAPT (0.54) | ALDH1A1RAB9ASMN1; SMN2CYP1A2CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110698394-B | 2- (2-chloronicotinamido) ethyl benzoate derivative and preparation method and application thereof | 浙江工业大学 | 2021-06-29 | — | — | CN | disclosed |
| CN-110698394-A | 2- (2-chloronicotinamido) ethyl benzoate derivative and preparation method and application thereof | 浙江工业大学 | 2020-01-17 | — | — | CN | disclosed |