Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17454445 | 0.89 | TP53 (0.38) | KDM4EALDH1A1TP53GAATSHR | |
| SCHEMBL17454373 | 0.86 | TP53 (0.42) | KDM4EALDH1A1TP53GAATSHR | |
| SCHEMBL17454011 | 0.86 | TSHR (0.41) | KDM4EALDH1A1TP53GAATSHR | |
| SCHEMBL19150259 | 0.86 | ALDH1A1 (0.36) | KDM4EALDH1A1TP53GAATSHR | |
| SCHEMBL17454014 | 0.85 | TP53 (0.41) | KDM4EALDH1A1TP53GAATSHR | |
| SCHEMBL17454013 | 0.82 | ALDH1A1 (0.39) | KDM4EALDH1A1TP53GAATSHR | |
| SCHEMBL19150023 | 0.82 | TP53 (0.39) | KDM4EALDH1A1TP53GAATSHR | |
| SCHEMBL17437885 | 0.82 | NOTUM (0.43) | HPGDL3MBTL1CYP2C19SMN1; SMN2TDP1 | |
| SCHEMBL17454441 | 0.81 | SPR (0.43) | KDM4EALDH1A1TP53GAATSHR | |
| SCHEMBL17437949 | 0.81 | CA12 (0.43) | KDM4EALDH1A1TP53GAATSHR |
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-2016010950-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-01-21 | — | — | WO | disclosed |