Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | SPR | P35270 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19127405 | 0.88 | KDM4E (0.39) | KDM4EALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL24247720 | 0.85 | ALDH1A1 (0.38) | KDM4EALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL19150259 | 0.81 | ALDH1A1 (0.36) | KDM4EALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL19127945 | 0.80 | KDM4E (0.40) | KDM4EALDH1A1HPGD | |
| SCHEMBL20646954 | 0.76 | LMNA (0.38) | KDM4EALDH1A1HSD17B10KMT2AMAPT | |
| SCHEMBL19128175 | 0.76 | KDM4E (0.45) | KDM4EALDH1A1HSD17B10KMT2ARAB9A | |
| SCHEMBL31389510 | 0.73 | KDM4E (0.45) | KDM4EALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL20646956 | 0.73 | LMNA (0.36) | KDM4EALDH1A1HSD17B10KMT2AMAPT | |
| SCHEMBL24247738 | 0.72 | SPR (0.43) | KDM4EALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL23889040 | 0.71 | SLC6A9 (0.35) | KDM4EALDH1A1KMT2ARAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3954681-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2022-02-16 | — | — | EP | disclosed |