Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.49 |
| ▸ | HTR1A | P08908 | 3/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | SCN1A | P35498 | 1/20 | 0.47 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9190061 | 0.81 | CYP2D6 (0.51) | CYP2D6CHRM2CHRM1KCNH2HTR1A | |
| SCHEMBL6202673 | 0.80 | KMT2A (0.50) | CYP2D6CHRM2CHRM1KCNH2HTR1A | |
| SCHEMBL11367108 | 0.78 | KMT2A (0.47) | CYP2D6CHRM2CHRM1KCNH2HTR1A | |
| SCHEMBL9197055 | 0.78 | ALDH1A1 (0.56) | CYP2D6LMNAKMT2AMEN1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL9197626 | 0.77 | ALDH1A1 (0.59) | CYP2D6LMNAKMT2AMEN1SIGMAR1 | |
| SCHEMBL8133327 | 0.76 | CYP2D6 (0.45) | CYP2D6CHRM2CHRM1KCNH2HTR1A | |
| SCHEMBL8880422 | 0.75 | CHRM2 (0.47) | CYP2D6CHRM2CHRM1KCNH2HTR1A | |
| SCHEMBL8570755 | 0.73 | CHRM2 (0.66) | CYP2D6CHRM2CHRM1KCNH2HTR1A | |
| SCHEMBL14354524 | 0.72 | CHRM2 (0.56) | CYP2D6CHRM2CHRM1KCNH2HTR1A | |
| SCHEMBL9192427 | 0.72 | CYP2D6 (0.51) | CYP2D6CHRM2CHRM1KCNH2HTR1A |
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-0486734-B1 | 1-Aryl-1-hydroxy-1-substituted-3-(4-substituted-1-piperazinyl)-2-propanones and their use in treatment of neurogenic bladder disorders | MARION MERRELL DOW INC (US) | 1995-08-30 | — | — | EP | disclosed |
| EP-0486734-A1 | 1-Aryl-1-hydroxy-1-substituted-3-(4-substituted-1-piperazinyl)-2-propanones and their use in treatment of neurogenic bladder disorders | MARION MERRELL DOW INC. (US) | 1992-05-27 | — | — | EP | disclosed |
| US-5001160-A | 1-aryl-1-hydroxy-1-substituted-3-(4-substituted-1-piperazinyl)-2-propanones and their use in treatment of neurogenic bladder disorders | MARION LABORATORIES, INC. (US) | 1991-03-19 | — | — | US | disclosed |