Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 6/20 | 0.64 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.55 |
| ▸ | ABL1 | P00519 | 5/20 | 0.53 |
| ▸ | BCR | P11274 | 5/20 | 0.53 |
| ▸ | ESR1 | P03372 | 4/20 | 0.53 |
| ▸ | NQO2 | P16083 | 4/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.53 |
| ▸ | TTR | P02766 | 2/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.53 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.53 |
| ▸ | TUBB | P07437 | 2/20 | 0.53 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.53 |
| ▸ | AHR | P35869 | 2/20 | 0.53 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.53 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.53 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.53 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.53 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28981586 | 1.00 | CYP1A1 (0.64) | CYP1A1CYP1B1CYP1A2ABL1BCR | |
| SCHEMBL4679562 | 0.90 | CYP1A1 (0.61) | CYP1A1CYP1B1CYP1A2ABL1BCR | |
| SCHEMBL4679569 | 0.90 | CYP1A1 (0.61) | CYP1A1CYP1B1CYP1A2ABL1BCR | |
| SCHEMBL17469176 | 0.89 | CYP1A1 (0.50) | CYP1A1CYP1B1CYP1A2ABL1BCR | |
| SCHEMBL4685042 | 0.84 | PPARG (0.60) | CYP1A1CYP1B1CYP1A2ABL1BCR | |
| SCHEMBL4685048 | 0.84 | PPARG (0.60) | CYP1A1CYP1B1CYP1A2ABL1BCR | |
| SCHEMBL14501364 | 0.83 | PPARG (0.46) | CYP1A1CYP1B1CYP1A2ESR1PTGS2 | |
| SCHEMBL4078834 | 0.81 | RELA (0.61) | CYP1A1CYP1B1CYP1A2ABL1BCR | |
| SCHEMBL4078838 | 0.81 | RELA (0.61) | CYP1A1CYP1B1CYP1A2ABL1BCR | |
| SCHEMBL14416281 | 0.81 | CYP1A1 (0.67) | CYP1A1CYP1B1CYP1A2ABL1BCR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115745718-A | Preparation method of delta-hydroxy substituted aromatic acetonitrile derivative | 浙江工业大学台州研究院 | 2023-03-07 | — | — | CN | disclosed |