Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.43 |
| ▸ | KDM1A | O60341 | 6/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL28526334 | 1.00 | PARP1 (0.45) | PARP1GRIN2BKDM1APKMCTSL | |
| SCHEMBL16572029 | 0.87 | GSK3B (0.49) | GRIN2BKDM1AENPP2GRIN2DGRIN3B | |
| SCHEMBL1421297 | 0.87 | GSK3B (0.49) | GRIN2BKDM1AENPP2GRIN2DGRIN3B | |
| SCHEMBL1421298 | 0.87 | GSK3B (0.49) | GRIN2BKDM1AENPP2GRIN2DGRIN3B | |
| SCHEMBL102454 | 0.85 | PARP1 (0.59) | PARP1GRIN2BKDM1APKMCTSL | |
| SCHEMBL102455 | 0.85 | PARP1 (0.59) | PARP1GRIN2BKDM1APKMCTSL | |
| SCHEMBL1421485 | 0.79 | VNN1 (0.36) | — | |
| SCHEMBL1421484 | 0.79 | VNN1 (0.36) | — | |
| SCHEMBL29444147 | 0.78 | — | — | |
| Water SCHEMBL28049226 | 0.78 | ENPP2 (0.54) | ENPP2 |
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-112313224-A | ATF6 inhibitors and uses thereof | 黑带医疗有限责任公司 | 2021-02-02 | — | — | CN | disclosed |