Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | DNPH1 | O43598 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.42 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | NT5E | P21589 | 1/20 | 0.40 |
| ▸ | NR2F2 | P24468 | 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 | |
|---|---|---|---|---|
| SCHEMBL22524035 | 0.91 | YTHDC1 (0.50) | ADORA3ADORA1 | |
| SCHEMBL2036287 | 0.84 | ALDH1A1 (0.55) | ADORA3NR2F2 | |
| SCHEMBL6915658 | 0.84 | BCHE (0.51) | DNPH1SMN1; SMN2P2RX3P2RX2TAS1R3 | |
| SCHEMBL22990586 | 0.84 | BCHE (0.51) | DNPH1SMN1; SMN2P2RX3P2RX2TAS1R3 | |
| SCHEMBL20225033 | 0.84 | BCHE (0.51) | DNPH1SMN1; SMN2P2RX3P2RX2TAS1R3 | |
| SCHEMBL20324865 | 0.81 | P2RY1 (0.59) | ADORA3TAS1R3TAS1R1 | |
| SCHEMBL22687460 | 0.80 | P2RY1 (0.51) | ADORA3TAS1R3TAS1R1ADORA1 | |
| SCHEMBL22866575 | 0.78 | NT5E (0.59) | DNPH1NPC1RAB9ASMN1; SMN2P2RX3 | |
| SCHEMBL24320810 | 0.77 | P2RY1 (0.57) | ADORA3P2RX3P2RX2NT5E | |
| SCHEMBL20806069 | 0.77 | TAS1R3 (0.37) | TAS1R3TAS1R1ADORA1 |
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-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 |