Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 8/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL19281124 | 0.87 | ACACB (0.46) | ACACBKMT2AALDH1A1CYP1A2IDO1 | |
| SCHEMBL12695096 | 0.87 | ACACB (0.42) | ACACBMGLLMEN1KMT2AEPHX1 | |
| SCHEMBL12480905 | 0.85 | ACACB (0.44) | ACACBMEN1KMT2AALDH1A1 | |
| SCHEMBL19289399 | 0.84 | EPHX2 (0.60) | ACACBMGLLEPHX1EPHX2HSP90AA1 | |
| SCHEMBL2585266 | 0.81 | ACACB (0.54) | ACACBMGLLEPHX1EPHX2 | |
| SCHEMBL12695093 | 0.81 | ACACB (0.41) | ACACBMGLLMEN1KMT2AEPHX1 | |
| SCHEMBL12695166 | 0.81 | ACACB (0.41) | ACACBMGLLMEN1KMT2AEPHX1 | |
| SCHEMBL19289442 | 0.81 | ACACB (0.41) | ACACBMGLLMEN1KMT2AEPHX1 | |
| SCHEMBL12481588 | 0.81 | HTT (0.51) | MGLLKMT2ATSHRALDH1A1IDO1 | |
| SCHEMBL12481302 | 0.79 | ACACB (0.40) | ACACBMGLLMEN1KMT2AEPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2675812-B1 | CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2017-08-30 | — | — | EP | disclosed |