Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | CASR | P41180 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.32 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4918504 | 0.92 | CA14 (0.37) | CA14HDAC6HDAC1HDAC2SSTR4 | |
| SCHEMBL1688828 | 0.92 | CA14 (0.41) | CA14HDAC6HDAC1HDAC2CYP2D6 | |
| SCHEMBL7117687 | 0.90 | CA14 (0.36) | CA14HDAC6HDAC1HDAC2 | |
| SCHEMBL1688812 | 0.90 | CA14 (0.38) | CA14HDAC6HDAC1HDAC2SSTR4 | |
| SCHEMBL1688827 | 0.87 | CA14 (0.38) | CA14HDAC6HDAC1HDAC2CYP2D6 | |
| SCHEMBL20262979 | 0.87 | CA14 (0.42) | CA14HDAC6HDAC1HDAC2SSTR4 | |
| SCHEMBL14030564 | 0.86 | HDAC6 (0.42) | CA14HDAC6HDAC1HDAC2SSTR4 | |
| SCHEMBL25359493 | 0.86 | CA14 (0.43) | CA14HDAC6HDAC1HDAC2SSTR4 | |
| SCHEMBL1688821 | 0.86 | CA14 (0.36) | CA14HDAC6HDAC1HDAC2DGAT1 | |
| SCHEMBL8982541 | 0.85 | CA14 (0.36) | CA14HDAC6HDAC1HDAC2CYP2D6 |
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-111295368-A | Chemically activated water soluble prodrugs | 大日本住友制药株式会社 | 2020-06-16 | — | — | CN | disclosed |