Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | TYR | P14679 | 2/20 | 0.40 |
| ▸ | MDM4 | O15151 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25934773 | 0.81 | MAPT (0.39) | SMN1; SMN2MAPTKDM4EALDH1A1CYP3A4 | |
| SCHEMBL25784300 | 0.77 | PARP1 (0.46) | SMN1; SMN2KDM4EHPGDHDAC8TDP1 | |
| SCHEMBL22306048 | 0.75 | C1S (0.44) | SMN1; SMN2MAPTKDM4EALDH1A1CYP3A4 | |
| SCHEMBL18792399 | 0.73 | ATM (0.37) | MAPTKDM4EALDH1A1HTTTDP1 | |
| SCHEMBL10775625 | 0.71 | SMN1; SMN2 (0.48) | SMN1; SMN2MAPTKDM4EALDH1A1CYP3A4 | |
| SCHEMBL23775748 | 0.71 | RXRA (0.50) | SMN1; SMN2MAPTKDM4EALDH1A1CYP3A4 | |
| SCHEMBL21556465 | 0.70 | MAPT (0.44) | SMN1; SMN2MAPTKDM4EALDH1A1CYP3A4 | |
| SCHEMBL18656137 | 0.70 | MAPT (0.35) | SMN1; SMN2MAPTKDM4EALDH1A1CYP3A4 | |
| SCHEMBL11756980 | 0.70 | MAPT (0.65) | SMN1; SMN2MAPTKDM4EALDH1A1CYP3A4 | |
| SCHEMBL12759570 | 0.69 | CASP3 (0.43) | SMN1; SMN2MAPTKDM4EALDH1A1CYP3A4 |
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-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |