Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.60 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.59 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.59 |
| ▸ | DRD4 | P21917 | 1/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.51 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.50 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL20492752 | 0.85 | ACHE (0.74) | SIGMAR1CHRNB2CHRNA4KDM4EALDH1A1 | |
| SCHEMBL4623213 | 0.83 | CHRNB2 (0.62) | SIGMAR1CHRNB2CHRNA4DRD4CHRM2 | |
| SCHEMBL23251886 | 0.83 | CHRNB2 (0.62) | SIGMAR1CHRNB2CHRNA4DRD4CHRM2 | |
| SCHEMBL8805748 | 0.82 | ACHE (0.74) | SIGMAR1KDM4EALDH1A1PKMBCHE | |
| Hydrochloric Acid SCHEMBL20553070 | 0.82 | CHRNB2 (0.60) | SIGMAR1CHRNB2CHRNA4DRD4CHRM2 | |
| Hydrochloric Acid SCHEMBL4886366 | 0.82 | CHRNB2 (0.60) | SIGMAR1CHRNB2CHRNA4DRD4CHRM2 | |
| Hydrochloric Acid SCHEMBL30805651 | 0.82 | CHRNB2 (0.60) | SIGMAR1CHRNB2CHRNA4DRD4CHRM2 | |
| SCHEMBL13428744 | 0.81 | CHRNB2 (0.63) | SIGMAR1CHRNB2CHRNA4DRD4CHRM2 | |
| SCHEMBL16026435 | 0.78 | CHRNB2 (0.85) | CHRNB2CHRNA4DRD4KDM4EALDH1A1 | |
| SCHEMBL27579051 | 0.78 | SIGMAR1 (0.74) | SIGMAR1CHRNB2CHRNA4DRD4CHRM2 |
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-1781635-B1 | POTASSIUM CHANNEL INHIBITORS | MERCK SHARP & DOHME (US) | 2012-06-13 | — | — | EP | disclosed |