Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | PTGFR | P43088 | 1/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.40 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | CTRC | Q99895 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2042815 | 0.79 | ADRA2A (0.43) | CYP2D6TAAR1CYP1A2 | |
| Hydrochloric Acid SCHEMBL28113238 | 0.78 | TAAR1 (0.44) | CYP2D6TAAR1CYP1A2 | |
| SCHEMBL11787286 | 0.75 | LTA4H (0.39) | HRH3 | |
| SCHEMBL27633076 | 0.74 | TAAR1 (0.40) | TAAR1KMT2AHRH3HTR2CHTR2B | |
| SCHEMBL27653530 | 0.74 | HTR1B (0.55) | TAAR1SIGMAR1HRH3 | |
| SCHEMBL4335321 | 0.73 | HTR1D (0.46) | TAAR1KMT2AHRH3HTR2A | |
| SCHEMBL27633073 | 0.72 | LTA4H (0.46) | CYP2D6 | |
| SCHEMBL2838141 | 0.72 | CYP1A2 (0.65) | CYP2D6NFKB1TAAR1CYP1A2CYP2A6 | |
| SCHEMBL11161143 | 0.69 | ADRA2A (0.41) | CYP2D6TAAR1CYP1A2KMT2A | |
| SCHEMBL13863533 | 0.69 | ALDH1A1 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113354811-B | Oxazoline polymer with side chain containing amino and/or hydroxyl, preparation method and application thereof | 华东理工大学 | 2024-05-07 | — | — | CN | disclosed |
| CN-113354811-A | Oxazoline polymer with side chain containing amino and/or hydroxyl, preparation method and application thereof | 华东理工大学 | 2021-09-07 | — | — | CN | disclosed |
| CN-1771236-A | Optically active bisoxazoline compound, process for producing the same, and use thereof | SUMITOMO CHEMICAL CO (JP) | 2006-05-10 | — | — | CN | disclosed |