Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | ACACB | O00763 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30471037 | 1.00 | ESR1 (0.51) | ESR1ESR2RAB9AHDAC6ACACB | |
| SCHEMBL25250143 | 1.00 | ESR1 (0.51) | ESR1ESR2RAB9AHDAC6ACACB | |
| SCHEMBL30471123 | 0.96 | ESR1 (0.49) | ESR1ESR2RAB9AHDAC6ACACB | |
| SCHEMBL25250672 | 0.96 | ESR1 (0.49) | ESR1ESR2RAB9AHDAC6ACACB | |
| SCHEMBL25250671 | 0.96 | ESR1 (0.49) | ESR1ESR2RAB9AHDAC6ACACB | |
| SCHEMBL30470970 | 0.90 | RAB9A (0.47) | ESR1ESR2RAB9AHDAC6ACACB | |
| SCHEMBL30471148 | 0.88 | MOGAT2 (0.46) | RAB9AHDAC6ACACBGAAALDH1A1 | |
| SCHEMBL25214054 | 0.87 | ESR1 (0.50) | ESR1ESR2RAB9APKMGAA | |
| SCHEMBL25266996 | 0.87 | ESR1 (0.50) | ESR1ESR2RAB9APKMGAA | |
| SCHEMBL30471107 | 0.87 | ESR1 (0.50) | ESR1ESR2RAB9APKMGAA |
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-2023094828-A1 | ANTAGONISTS OF CAV 2.3 | LARIO THERAPEUTICS LIMITED (GB) | 2023-06-01 | — | — | WO | disclosed |