Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
| ▸ | SELL | P14151 | 1/20 | 0.34 |
| ▸ | SELP | P16109 | 1/20 | 0.34 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19127949 | 0.84 | CA12 (0.41) | KDM4EALDH1A1MAPTHSD17B10XDH | |
| SCHEMBL19128171 | 0.74 | ROCK2 (0.39) | KDM4E | |
| SCHEMBL17438073 | 0.72 | KDM4E (0.37) | KDM4EALDH1A1TDP1SELLSELP | |
| SCHEMBL28543722 | 0.70 | MAPT (0.36) | KDM4EALDH1A1TDP1MAPTSMN1; SMN2 | |
| SCHEMBL14189820 | 0.69 | PTGER4 (0.43) | KDM4EALDH1A1TDP1PTGER4MAPT | |
| SCHEMBL7304782 | 0.67 | KDM4E (0.50) | KDM4EALDH1A1TDP1NR4A3HSD17B10 | |
| SCHEMBL23728533 | 0.67 | KDM4E (0.54) | KDM4EALDH1A1TDP1MAPTSMN1; SMN2 | |
| SCHEMBL5512443 | 0.67 | NR4A3 (0.59) | ALDH1A1PTGER4MAPTSMN1; SMN2NR4A3 | |
| SCHEMBL31023009 | 0.66 | KDM4E (0.53) | KDM4EALDH1A1TDP1MAPTSMN1; SMN2 | |
| SCHEMBL17452644 | 0.65 | TSHR (0.35) | KDM4EALDH1A1 |
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-108699038-B | Spirocyclic heptane salicylamides and related compounds as Rock inhibitors | 百时美施贵宝公司 | 2021-04-16 | — | — | CN | disclosed |