Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.59 |
| ▸ | GAA | P10253 | 6/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 8/20 | 0.58 |
| ▸ | CASP1 | P29466 | 6/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.58 |
| ▸ | GLA | P06280 | 6/20 | 0.57 |
| ▸ | CASP7 | P55210 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | KLK7 | P49862 | 1/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8567882 | 0.88 | HDAC3 (0.68) | ALDH1A1KDM4EGAASMN1; SMN2HPGD | |
| SCHEMBL13005009 | 0.86 | KDM4E (0.60) | ALDH1A1KDM4EGAASMN1; SMN2HPGD | |
| SCHEMBL4258170 | 0.85 | KMT2A (0.57) | ALDH1A1KDM4EGAASMN1; SMN2HPGD | |
| SCHEMBL14433515 | 0.85 | ALDH1A1 (0.57) | ALDH1A1KDM4EGAASMN1; SMN2HPGD | |
| SCHEMBL620146 | 0.83 | KDM4E (0.63) | ALDH1A1KDM4EGAASMN1; SMN2HPGD | |
| SCHEMBL732843 | 0.83 | HDAC3 (0.64) | ALDH1A1KDM4EGAASMN1; SMN2HPGD | |
| SCHEMBL13791467 | 0.82 | CA1 (0.63) | ALDH1A1KDM4EGAASMN1; SMN2HPGD | |
| SCHEMBL9444279 | 0.82 | KDM4E (0.68) | ALDH1A1KDM4EGAASMN1; SMN2HPGD | |
| SCHEMBL731330 | 0.82 | KMT2A (0.53) | ALDH1A1KDM4EGAASMN1; SMN2HPGD | |
| SCHEMBL308831 | 0.81 | KMT2A (0.57) | ALDH1A1KDM4EGAASMN1; SMN2HPGD |
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-2595989-A1 | HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2013-05-29 | — | — | EP | disclosed |
| WO-2011140425-A1 | HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-10 | — | — | WO | disclosed |