Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.33 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.31 |
| ▸ | CHRNG | P07510 | 1/20 | 0.31 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | CHRND | Q07001 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9720104 | 0.75 | SLC6A3 (0.35) | SLC6A3SLC6A4SLC6A2CHRNA1CHRNG | |
| SCHEMBL5177413 | 0.74 | CYP2A6 (0.32) | — | |
| SCHEMBL276639 | 0.72 | HDAC4 (0.32) | — | |
| SCHEMBL8971076 | 0.66 | SLC6A2 (0.33) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL25599865 | 0.63 | ALDH1A1 (0.37) | — | |
| SCHEMBL9230201 | 0.63 | SLC6A3 (0.40) | SLC6A3SLC6A4SLC6A2CHRNA1CHRNG | |
| SCHEMBL30773513 | 0.62 | SLC6A3 (0.46) | SLC6A3SLC6A4SLC6A2CHRNA1CHRNG | |
| SCHEMBL5865741 | 0.62 | KDM1A (0.31) | — | |
| SCHEMBL5187900 | 0.60 | HDAC4 (0.33) | SLC6A4 | |
| SCHEMBL27955335 | 0.59 | SLC6A3 (0.44) | SLC6A3SLC6A4SLC6A2CHRNA1CHRNG |
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-0338054-B1 | CROSS COUPLING OF TITANIUM ORGANYLS | MERCK PATENT GmbH (DE) | 1992-12-30 | — | — | EP | disclosed |
| EP-0338054-A1 | CROSS COUPLING OF TITANIUM ORGANYLS | MERCK PATENT GmbH (DE) | 1989-10-25 | — | — | EP | disclosed |
| WO-1989003812-A1 | CROSS COUPLING OF TITANIUM ORGANYLS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-05-05 | — | — | WO | disclosed |