Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | CASP1 | P29466 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CASP7 | P55210 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 3/20 | 0.36 |
| ▸ | PPARA | Q07869 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17455480 | 0.86 | KDM4E (0.41) | ALDH1A1TSHRKDM4EGAAHPGD | |
| SCHEMBL19127945 | 0.84 | KDM4E (0.40) | ALDH1A1KDM4EHPGD | |
| SCHEMBL17454445 | 0.82 | TP53 (0.38) | ALDH1A1TSHRKDM4EGAAHPGD | |
| SCHEMBL23889040 | 0.81 | SLC6A9 (0.35) | ALDH1A1KDM4ETDP1SMN1; SMN2KMT2A | |
| SCHEMBL19127405 | 0.81 | KDM4E (0.39) | ALDH1A1TSHRKDM4EGAAHPGD | |
| SCHEMBL24247736 | 0.81 | KDM4E (0.39) | ALDH1A1TSHRKDM4EGAAHPGD | |
| SCHEMBL19128038 | 0.80 | EPHX2 (0.35) | KDM4EL3MBTL1SMN1; SMN2MEN1POLB | |
| SCHEMBL17454011 | 0.80 | TSHR (0.41) | ALDH1A1TSHRKDM4EGAAHPGD | |
| SCHEMBL17454373 | 0.80 | TP53 (0.42) | ALDH1A1TSHRKDM4EGAAHPGD | |
| SCHEMBL17454014 | 0.79 | TP53 (0.41) | ALDH1A1TSHRKDM4EGAAHPGD |
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-2017123860-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-07-20 | — | — | WO | disclosed |