Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PREP | P48147 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.32 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL6584997 | 0.87 | UBE2M (0.35) | PREPNPC1RAB9ADPP4DPP7 | |
| SCHEMBL6584489 | 0.80 | HRH1 (0.42) | PREPCCR1CYP1A2 | |
| SCHEMBL8547440 | 0.77 | HTT (0.33) | SMN1; SMN2CYP2C19PREPNPC1RAB9A | |
| SCHEMBL6586315 | 0.74 | DPP4 (0.37) | SMN1; SMN2NPC1RAB9ADPP4DPP7 | |
| SCHEMBL6584617 | 0.68 | HTT (0.36) | SMN1; SMN2CYP2C19NPC1RAB9ADPP4 | |
| Tert-Butyl Formate SCHEMBL28751186 | 0.66 | ITGB3 (0.43) | CYP2C19DPP4DPP7KCNH2 | |
| SCHEMBL29061106 | 0.63 | SMN1; SMN2 (0.66) | SMN1; SMN2CYP2C19NPC1RAB9AHTT | |
| SCHEMBL12640200 | 0.63 | ALDH1A1 (0.64) | NPC1RAB9A | |
| SCHEMBL24974571 | 0.62 | HRH3 (0.49) | SMN1; SMN2CYP2C19NPC1RAB9AKCNH2 | |
| SCHEMBL13302682 | 0.62 | ALDH1A1 (0.55) | CYP2C19CYP1A2 |
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-6002009-A | Di-substituted 1,4-piperidine esters and amides having 5-HT4 antagonistic activity | BOEHRINGER INGELHEIM ITALIA, S.P.A. (IT) | 1999-12-14 | — | — | US | disclosed |
| WO-1996028424-A1 | DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT4 ANTAGONISTIC ACTIVITY | BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) | 1996-09-19 | — | — | WO | disclosed |