Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STING1 | Q86WV6 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | GGT1 | P19440 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MLYCD | O95822 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16334546 | 0.84 | STING1 (0.36) | STING1HDAC1HDAC2HDAC6HDAC3 | |
| SCHEMBL328633 | 0.84 | STING1 (0.36) | STING1HDAC1HDAC2HDAC6HDAC3 | |
| SCHEMBL3960043 | 0.84 | GRM4 (0.37) | STING1HDAC1HDAC2HDAC6HDAC3 | |
| Hydrochloric Acid SCHEMBL31301903 | 0.83 | STING1 (0.36) | STING1HDAC1HDAC2HDAC6HDAC3 | |
| SCHEMBL28462652 | 0.82 | ALDH1A1 (0.33) | STING1HDAC1HDAC2HDAC6HDAC3 | |
| SCHEMBL22687832 | 0.82 | STING1 (0.36) | STING1HDAC1HDAC2HDAC6HDAC3 | |
| SCHEMBL28462653 | 0.82 | ALDH1A1 (0.33) | STING1HDAC1HDAC2HDAC6HDAC3 | |
| SCHEMBL27755090 | 0.80 | STING1 (0.33) | STING1HDAC1HDAC2HDAC6HDAC3 | |
| SCHEMBL16327485 | 0.79 | HDAC6 (0.37) | STING1HDAC1HDAC2HDAC6HDAC3 | |
| SCHEMBL10014001 | 0.79 | HDAC6 (0.37) | STING1HDAC1HDAC2HDAC6HDAC3 |
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-105164136-A | Macrocyclic compounds as kinase inhibitors | MERCK PATENT GMBH | 2015-12-16 | — | — | CN | disclosed |