Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.43 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.41 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22534223 | 0.82 | KDM4E (0.42) | KDM4EALDH1A1GAAMEN1KMT2A | |
| SCHEMBL29935495 | 0.82 | HDAC2 (0.42) | CYP11B1CYP11B2MAPTKDM4EALDH1A1 | |
| SCHEMBL22534224 | 0.82 | HDAC2 (0.42) | CYP11B1CYP11B2MAPTKDM4EALDH1A1 | |
| SCHEMBL22534230 | 0.79 | HRH3 (0.41) | — | |
| SCHEMBL29935413 | 0.79 | HRH3 (0.41) | — | |
| SCHEMBL22534248 | 0.79 | BACE1 (0.36) | MAPTKDM4EALDH1A1GAAMEN1 | |
| SCHEMBL29935469 | 0.79 | BACE1 (0.36) | MAPTKDM4EALDH1A1GAAMEN1 | |
| SCHEMBL28476341 | 0.78 | ALOX15 (0.42) | ERN1PDE7APDE7BEGFRCYP11B1 | |
| SCHEMBL22534293 | 0.76 | CYP1A2 (0.39) | PDE7APDE7BKDM4EALDH1A1GAA | |
| SCHEMBL22534239 | 0.76 | RAB9A (0.40) | MAPTKDM4EALDH1A1GAAMEN1 |
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 |