Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CCR3 | P51677 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19281150 | 0.91 | ACACB (0.40) | ACACBALDH1A1KDM4EKMT2APOLB | |
| SCHEMBL12480972 | 0.86 | ACACB (0.42) | ACACBALDH1A1KDM4EKMT2APOLB | |
| SCHEMBL19289249 | 0.86 | ACACB (0.42) | ACACBALDH1A1KDM4EKMT2APOLB | |
| SCHEMBL12695231 | 0.84 | ACACB (0.42) | ACACBCYP2D6ALDH1A1PKMKDM4E | |
| SCHEMBL12695071 | 0.84 | CYP2D6 (0.42) | ACACBCYP2D6ALDH1A1PKMKDM4E | |
| SCHEMBL12695055 | 0.82 | ACACB (0.41) | ACACBALDH1A1KDM4EKMT2APOLB | |
| SCHEMBL12695115 | 0.82 | ACACB (0.41) | ACACBCYP2D6ALDH1A1PKMKDM4E | |
| SCHEMBL12480927 | 0.81 | ACACB (0.40) | ACACBALDH1A1KDM4EKMT2APOLB | |
| SCHEMBL19281145 | 0.81 | EPHX2 (0.39) | ACACBCYP2D6ALDH1A1TSHR | |
| SCHEMBL12695070 | 0.81 | ACACB (0.40) | ACACBALDH1A1KDM4EKMT2APOLB |
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 |