Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22534298 | 1.00 | HDAC2 (0.43) | HDAC2HDAC8HDAC6PDGFRBPDGFRA | |
| SCHEMBL28470805 | 0.84 | SCN9A (0.39) | — | |
| SCHEMBL28901020 | 0.84 | HRH3 (0.43) | MAP4K4ALDH1A1 | |
| SCHEMBL28476341 | 0.82 | ALOX15 (0.42) | HDAC2HDAC8HDAC6PDGFRBPDGFRA | |
| SCHEMBL29935557 | 0.78 | CYP11B1 (0.37) | PDGFRBPDGFRACYP11B1CYP11B2 | |
| SCHEMBL22534222 | 0.78 | CYP11B1 (0.37) | PDGFRBPDGFRACYP11B1CYP11B2 | |
| SCHEMBL29935497 | 0.78 | HTR3A (0.38) | ALDH1A1MAPTRAB9ANFKB1SMN1; SMN2 | |
| SCHEMBL22534224 | 0.75 | HDAC2 (0.42) | HDAC2HDAC8HDAC6PDGFRBPDGFRA | |
| SCHEMBL29935495 | 0.75 | HDAC2 (0.42) | HDAC2HDAC8HDAC6PDGFRBPDGFRA | |
| SCHEMBL28477476 | 0.75 | HDAC2 (0.42) | HDAC2HDAC8HDAC6PDGFRBPDGFRA |
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-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 |