Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.30 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.30 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.30 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22927287 | 0.73 | PTGS2 (0.35) | PTGS2PTGS1SQOR | |
| SCHEMBL9764142 | 0.71 | PTGS2 (0.51) | PTGS2PTGS1ESR1ESR2 | |
| SCHEMBL22927114 | 0.70 | PTGS2 (0.37) | PTGS2PTGS1SQOR | |
| SCHEMBL21703736 | 0.65 | PTGS2 (0.35) | PTGS2PTGS1ESR1ESR2 | |
| SCHEMBL11831935 | 0.59 | NPC1 (0.56) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL13070302 | 0.59 | HDAC1 (0.66) | PTGS1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL9065856 | 0.58 | TBXAS1 (0.56) | PTGS2PTGS1ESR1 | |
| SCHEMBL9065858 | 0.58 | TBXAS1 (0.56) | PTGS2PTGS1ESR1 | |
| SCHEMBL1006879 | 0.57 | TBXAS1 (0.55) | PTGS2PTGS1ESR1HDAC1HDAC8 | |
| SCHEMBL1006878 | 0.57 | TBXAS1 (0.55) | PTGS2PTGS1ESR1HDAC1HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021217740-A1 | COMPOSITIONS AND METHODS FOR INHIBITING VIRUS INFECTION | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2021-11-04 | — | — | WO | disclosed |