Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.37 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | SERPINH1 | P50454 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 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 | |
|---|---|---|---|---|
| SCHEMBL17802200 | 0.83 | MAPT (0.36) | MAPTPOLBSERPINH1ACHEPARP1 | |
| SCHEMBL551872 | 0.83 | NR4A2 (0.38) | MAPTPARP10PARP11NR4A2POLB | |
| SCHEMBL14048993 | 0.79 | NR4A2 (0.44) | MAPTPARP10PARP11NR4A2POLB | |
| SCHEMBL10661545 | 0.76 | KDM4E (0.45) | POLBPARP1KDM4EATM | |
| SCHEMBL31562070 | 0.76 | KDM4E (0.45) | POLBPARP1KDM4EATM | |
| SCHEMBL9177566 | 0.76 | PARP1 (0.39) | MAPTPOLBGAASERPINH1PARP1 | |
| SCHEMBL7493334 | 0.75 | POLB (0.40) | PARP10PARP11POLBGAA | |
| SCHEMBL9181279 | 0.75 | GAA (0.39) | MAPTPOLBGAAPARP1KDM4E | |
| SCHEMBL17433704 | 0.74 | PARP10 (0.43) | PARP10PARP11GAAPARP1KDM4E | |
| SCHEMBL9177916 | 0.74 | MAPT (0.38) | MAPTGAASERPINH1PARP1KDM4E |
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-2021087087-A1 | N-CYCLOHEXYL-5-(THIAZOL-5-YL)-1H-INDOLE-7-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS CD38 INHIBITORS FOR INCREASING NAD+ AND FOR THE TREATMENT OF E.G. MUSCULAR DISORDERS | MITOBRIDGE INC. (US) | 2021-05-06 | — | — | WO | disclosed |