Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | ESRRA | P11474 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | PRKCI | P41743 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 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 | |
|---|---|---|---|---|
| SCHEMBL12251367 | 0.86 | ESRRA (0.46) | CYP2A6MAPTRAB9ANPC1KIF11 | |
| SCHEMBL11893915 | 0.85 | ACE2 (0.54) | MAPTACE2ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL312657 | 0.81 | KIF11 (0.56) | CYP2A6MAPTRAB9ANPC1KIF11 | |
| SCHEMBL24445877 | 0.80 | KIF11 (0.44) | CYP2A6MAPTRAB9ANPC1KIF11 | |
| SCHEMBL14958173 | 0.79 | NOTUM (0.46) | CYP2A6MAPTRAB9ANPC1KIF11 | |
| SCHEMBL307177 | 0.79 | HSP90AA1 (0.40) | CYP2A6MAPTRAB9ANPC1KIF11 | |
| SCHEMBL5368194 | 0.78 | KIF11 (0.45) | CYP2A6MAPTRAB9ANPC1KIF11 | |
| SCHEMBL29787835 | 0.74 | SMN1; SMN2 (0.57) | CYP2A6MAPTRAB9ANPC1HSD17B1 | |
| SCHEMBL110321 | 0.74 | SMN1; SMN2 (0.57) | CYP2A6MAPTRAB9ANPC1HSD17B1 | |
| SCHEMBL8152599 | 0.74 | ESRRA (0.49) | CYP2A6MAPTRAB9ANPC1KIF11 |
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 |