Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 3/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | PTPRG | P23470 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8308083 | 0.85 | CYP2D6 (0.48) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8597114 | 0.85 | IKBKB (0.39) | RPS6KB1CYP2D6IKBKB | |
| SCHEMBL4468913 | 0.78 | TNF (0.44) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8390128 | 0.74 | NOTUM (0.35) | MAPTRAB9A | |
| SCHEMBL8554659 | 0.72 | HPGD (0.45) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL6425161 | 0.71 | TACR2 (0.65) | TACR2 | |
| SCHEMBL4468917 | 0.71 | SLC6A2 (0.50) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL16649632 | 0.70 | SLC6A2 (0.43) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL4564260 | 0.69 | IKBKB (0.52) | SLC6A3CYP3A4MAPTIKBKB | |
| SCHEMBL4468911 | 0.68 | SLC6A2 (0.38) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0882038-A1 | NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | HOECHST MARION ROUSSEL, INC. (US) | 1998-12-09 | — | — | EP | disclosed |
| WO-1997030990-A1 | NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | HOECHST MARION ROUSSEL, INC. (US) | 1997-08-28 | — | — | WO | disclosed |