Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 6/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 6/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 5/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | DRD4 | P21917 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8409738 | 0.72 | KCNN4 (0.41) | KCNN4CYP2D6CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL1149712 | 0.65 | KCNN4 (0.59) | KCNN4CYP2D6CYP3A4ALDH1A1CYP2C19 | |
| Hydrochloric Acid SCHEMBL2810767 | 0.63 | KCNN4 (0.56) | KCNN4CYP3A4ALDH1A1LMNAKMT2A | |
| SCHEMBL1454786 | 0.62 | MAOA (0.42) | CYP2D6ALDH1A1HSD17B10LMNAKDM4E | |
| SCHEMBL27929171 | 0.62 | TAAR1 (0.41) | KCNN4CYP2D6CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL23374742 | 0.62 | CYP2D6 (0.46) | KCNN4CYP2D6CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL2976801 | 0.62 | — | — | |
| SCHEMBL11668769 | 0.60 | KCNN4 (0.52) | KCNN4CYP2D6ALDH1A1CYP2C19HSD17B10 | |
| SCHEMBL8096612 | 0.60 | CYP2D6 (0.43) | KCNN4CYP2D6CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL19626682 | 0.60 | KCNN4 (0.42) | KCNN4CYP2D6CYP3A4ALDH1A1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5859030-A | Substituted arylalkylthioalkylthiopyridines for use in the control of helicobacter bacteria | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1999-01-12 | — | — | US | disclosed |
| WO-1996000224-A1 | 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1996-01-04 | — | — | WO | disclosed |