Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 11/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 11/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 9/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 9/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 8/20 | 0.39 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.39 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | MAN1B1 | Q9UKM7 | 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 | |
|---|---|---|---|---|
| SCHEMBL8256069 | 0.74 | CYP2D6 (0.54) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL1117719 | 0.74 | CYP2D6 (0.54) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL17776406 | 0.72 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL17743413 | 0.72 | CYP2D6 (0.52) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL17743415 | 0.70 | CHRNB2 (0.38) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL27464217 | 0.69 | CHRNB2 (0.52) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL18691836 | 0.67 | — | — | |
| SCHEMBL1573722 | 0.67 | — | — | |
| SCHEMBL42967 | 0.67 | — | — | |
| SCHEMBL3978415 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0448542-B1 | Process for preparation of fluoromethyl-substituted dihydropyridine carbodithioates | ROHM & HAAS (US) | 1995-11-22 | — | — | EP | claimed |
| EP-0448542-A2 | Process for preparation of fluoromethyl-substituted dihydropyridine carbodithioates | ROHM AND HAAS COMPANY (US) | 1991-09-25 | — | — | EP | claimed |
| EP-0448542-B1 | Process for preparation of fluoromethyl-substituted dihydropyridine carbodithioates | ROHM & HAAS (US) | 1995-11-22 | — | — | EP | disclosed |