Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.35 |
| ▸ | CHRNG | P07510 | 1/20 | 0.35 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CHRND | Q07001 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.30 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5900846 | 1.00 | SLC6A3 (0.37) | SLC6A3SLC6A4SLC6A2CHRNA1CHRNG | |
| SCHEMBL8148404 | 0.84 | ALDH1A1 (0.36) | SLC6A3SLC6A4SLC6A2CHRNA1CHRNG | |
| SCHEMBL8128743 | 0.84 | ALDH1A1 (0.36) | SLC6A3SLC6A4SLC6A2CHRNA1CHRNG | |
| SCHEMBL27528569 | 0.83 | SLC6A4 (0.43) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL5901153 | 0.83 | SLC6A4 (0.43) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL8143503 | 0.78 | SLC6A4 (0.45) | SLC6A3SLC6A4SLC6A2CHRNA1CHRNG | |
| SCHEMBL8143495 | 0.78 | SLC6A4 (0.45) | SLC6A3SLC6A4SLC6A2CHRNA1CHRNG | |
| SCHEMBL7765696 | 0.75 | L3MBTL1 (0.35) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL6984627 | 0.73 | TACR1 (0.47) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL6984751 | 0.73 | TACR1 (0.47) | SLC6A3SLC6A4SLC6A2 |
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-0992493-A1 | Substituted benzoylpiperidine derivatives and their use as Neurokinin antagonists | PFIZER INC. (US) | 2000-04-12 | — | — | EP | disclosed |