Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 3/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22966674 | 0.84 | GRM5 (0.42) | GRM5HDAC6HRH3RAD52RECQL | |
| SCHEMBL21451962 | 0.83 | RAD52 (0.46) | GRM5RAD52RECQLGAAMAPK1 | |
| SCHEMBL16286091 | 0.80 | RAD52 (0.48) | GRM5HDAC6HRH3RAD52RECQL | |
| SCHEMBL21451980 | 0.80 | HRH3 (0.43) | GRM5HDAC6HRH3RAD52RECQL | |
| SCHEMBL17383827 | 0.80 | RAD52 (0.48) | GRM5HDAC6HRH3RAD52RECQL | |
| SCHEMBL21451964 | 0.78 | RAD52 (0.44) | GRM5HDAC6RAD52RECQLGAA | |
| SCHEMBL21451973 | 0.77 | HRH3 (0.49) | GRM5HDAC6HRH3RAD52RECQL | |
| SCHEMBL16286089 | 0.77 | RAD52 (0.48) | GRM5RAD52RECQLGAAMAPK1 | |
| SCHEMBL21451961 | 0.76 | HRH3 (0.45) | GRM5HDAC6HRH3RAD52RECQL | |
| SCHEMBL21452354 | 0.76 | HDAC6 (0.42) | GRM5HDAC6HRH3RAD52RECQL |
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-2019192506-A1 | IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF | BETTA PHARMACEUTICALS CO., LTD (CN) | 2019-10-10 | — | — | WO | disclosed |