Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 2/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.47 |
| ▸ | CCKBR | P32239 | 3/20 | 0.47 |
| ▸ | CCKAR | P32238 | 3/20 | 0.47 |
| ▸ | CTSD | P07339 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | NTSR2 | O95665 | 1/20 | 0.46 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29472195 | 0.90 | F2 (0.52) | F2OPRD1NTSR2NTSR1OPRM1 | |
| SCHEMBL30211356 | 0.90 | NPY4R (0.50) | OPRD1CCKBRCCKAROPRM1 | |
| SCHEMBL29472194 | 0.90 | CTSS (0.54) | OPRD1CCKBRCCKARCTSDCTSS | |
| SCHEMBL31069954 | 0.88 | OPRD1 (0.51) | OPRD1CCKBRCCKAR | |
| SCHEMBL29472190 | 0.87 | OPRD1 (0.54) | F2OPRD1NTSR2NTSR1OPRM1 | |
| SCHEMBL9317456 | 0.85 | CTSS (0.52) | OPRD1CCKBRCCKARCTSSCTSK | |
| SCHEMBL9317466 | 0.85 | CTSS (0.52) | OPRD1CCKBRCCKARCTSSCTSK | |
| SCHEMBL31181957 | 0.83 | CTSS (0.61) | CTSSCTSK | |
| SCHEMBL30645671 | 0.83 | CTSS (0.61) | CTSSCTSK | |
| SCHEMBL31069957 | 0.83 | CTSS (0.52) | OPRD1CCKBRCCKARCTSDCTSS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109134605-B | 1, 1-dihydroxymethyl-tetrahydro-beta-carboline-3-formyl-GYIGSK, and synthesis, activity and application thereof | 首都医科大学 | 2022-04-22 | — | — | CN | disclosed |
| CN-109134603-B | 1, 1-dihydroxymethyl-tetrahydro-beta-carboline-3-formyl-GYIGSR, and synthesis, activity and application thereof | 首都医科大学 | 2022-04-22 | — | — | CN | disclosed |