Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10365973 | 0.82 | ERN1 (0.49) | ALOX15HTTERN1CYP11B1CYP11B2 | |
| SCHEMBL29935519 | 0.82 | HDAC2 (0.43) | CYP11B1CYP11B2ALDH1A1KDM4EMAPT | |
| SCHEMBL22534298 | 0.82 | HDAC2 (0.43) | CYP11B1CYP11B2ALDH1A1KDM4EMAPT | |
| SCHEMBL28470805 | 0.79 | SCN9A (0.39) | — | |
| SCHEMBL28901020 | 0.79 | HRH3 (0.43) | ALDH1A1HPGD | |
| SCHEMBL28900366 | 0.78 | ERN1 (0.43) | ALOX15HTTERN1CYP11B1CYP11B2 | |
| SCHEMBL22534209 | 0.76 | RXRA (0.38) | ALDH1A1KDM4EMAPTPOLBNPC1 | |
| SCHEMBL22534222 | 0.74 | CYP11B1 (0.37) | CYP11B1CYP11B2GAAPDGFRBPDGFRA | |
| SCHEMBL29935497 | 0.73 | HTR3A (0.38) | ALOX15HTTALDH1A1MAPTHPGD | |
| SCHEMBL18617254 | 0.71 | HTT (0.52) | ALOX15HTTCYP11B1CYP11B2CYP19A1 |
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-111793025-B | Method for modifying amino in molecule by oxazoline quaternary ammonium salt and application thereof | 中国科学院上海药物研究所 | 2022-09-23 | — | — | CN | disclosed |
| CN-111793025-A | Method for modifying amino in molecule by oxazoline quaternary ammonium salt and application thereof | 中国科学院上海药物研究所 | 2020-10-20 | — | — | CN | disclosed |