Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.43 |
| ▸ | PADI1 | Q9ULC6 | 2/20 | 0.39 |
| ▸ | PADI4 | Q9UM07 | 2/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 6/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.34 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL11758308 | 0.87 | SIGMAR1 (0.41) | SIGMAR1MEN1KMT2ACA1CA2 | |
| SCHEMBL6422237 | 0.86 | SIGMAR1 (0.40) | SIGMAR1OPRD1CHRM5CHRM3OPRM1 | |
| SCHEMBL17153108 | 0.86 | SIGMAR1 (0.40) | SIGMAR1PADI1PADI4OPRD1CHRM5 | |
| Hydrochloric Acid SCHEMBL7957925 | 0.84 | SIGMAR1 (0.40) | SIGMAR1OPRD1CHRM5CHRM3OPRM1 | |
| SCHEMBL17153110 | 0.84 | MEN1 (0.41) | SIGMAR1PADI1PADI4OPRD1CHRM5 | |
| SCHEMBL6332807 | 0.83 | SLC6A3 (0.45) | SIGMAR1MEN1KMT2ASLC6A2SLC6A4 | |
| SCHEMBL1417909 | 0.83 | SIGMAR1 (0.39) | SIGMAR1PADI1PADI4OPRD1CHRM5 | |
| SCHEMBL27360346 | 0.81 | SIGMAR1 (0.38) | SIGMAR1OPRD1CHRM5CHRM3OPRM1 | |
| Hydrochloric Acid SCHEMBL27545220 | 0.81 | MAPT (0.40) | SIGMAR1PADI1PADI4OPRD1CHRM5 | |
| SCHEMBL27667325 | 0.81 | SIGMAR1 (0.44) | SIGMAR1OPRD1CHRM5CHRM3OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3924361-B1 | NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LTD (IN) | 2023-09-06 | — | — | EP | disclosed |
| WO-2020165741-A1 | NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LIMITED (IN) | 2020-08-20 | — | — | WO | disclosed |