Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL903107 | 0.88 | ALDH1A1 (0.35) | TSHRHTT | |
| SCHEMBL903040 | 0.67 | NPC1 (0.30) | HTT | |
| SCHEMBL903082 | 0.66 | ALDH1A1 (0.33) | TSHR | |
| SCHEMBL903083 | 0.65 | CYP2C9 (0.36) | — | |
| SCHEMBL470293 | 0.65 | KDM4E (0.31) | HTT | |
| SCHEMBL899630 | 0.64 | PTGS2 (0.47) | TSHRHTT | |
| SCHEMBL903089 | 0.63 | GAA (0.34) | TSHR | |
| SCHEMBL12691878 | 0.62 | CA12 (0.45) | TSHRHTT | |
| SCHEMBL19389557 | 0.61 | CYP17A1 (0.35) | — | |
| SCHEMBL23062876 | 0.60 | BRD4 (0.40) | HTT |
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-2012044531-A1 | NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-04-05 | — | — | WO | disclosed |