Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 6/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | PNP | P00491 | 4/20 | 0.43 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | HINT1 | P49773 | 1/20 | 0.41 |
| ▸ | NT5E | P21589 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | EDNRA | P25101 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HBB | P68871 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26196873 | 0.86 | ADORA3 (0.48) | HPRT1ADORA3PNPSTING1POLB | |
| SCHEMBL18519687 | 0.86 | HPRT1 (0.45) | HPRT1ADORA3PNPSTING1POLB | |
| SCHEMBL9124915 | 0.84 | ADORA3 (0.52) | HPRT1ADORA3PNPSTING1BLM | |
| SCHEMBL9124912 | 0.84 | ADORA3 (0.52) | HPRT1ADORA3PNPSTING1BLM | |
| SCHEMBL20324648 | 0.84 | HPRT1 (0.48) | HPRT1ADORA3PNPSTING1POLB | |
| SCHEMBL20324698 | 0.83 | HPRT1 (0.43) | HPRT1ADORA3PNPSTING1POLB | |
| SCHEMBL20324562 | 0.83 | HPRT1 (0.49) | HPRT1PNPPOLBNT5E | |
| SCHEMBL20324788 | 0.78 | ALDH1A1 (0.51) | HPRT1ADORA3PNPSTING1POLB | |
| SCHEMBL18823015 | 0.78 | ALDH1A1 (0.51) | HPRT1ADORA3PNPSTING1POLB | |
| SCHEMBL16695875 | 0.76 | HINT1 (0.53) | ADORA3PNPSTING1POLBHINT1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020205323-A1 | STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF | MERCK SHARP & DOHME CORP. (US) | 2020-10-08 | — | — | WO | disclosed |
| WO-2018118665-A1 | CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT | MERCK SHARP & DOHME CORP. (US) | 2018-06-28 | — | — | WO | disclosed |
| WO-2018118664-A1 | COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT | MERCK SHARP & DOHME CORP. (US) | 2018-06-28 | — | — | WO | disclosed |