Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.60 |
| ▸ | HTR1A | P08908 | 2/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.60 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.60 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.60 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.60 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.60 |
| ▸ | DRD1 | P21728 | 2/20 | 0.60 |
| ▸ | HTR2A | P28223 | 2/20 | 0.60 |
| ▸ | HTR2C | P28335 | 2/20 | 0.60 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.60 |
| ▸ | HRH1 | P35367 | 2/20 | 0.60 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.60 |
| ▸ | DRD3 | P35462 | 2/20 | 0.60 |
| ▸ | HTR2B | P41595 | 2/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.60 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL2370828 | 0.86 | DRD2 (0.65) | DRD2LMNACHRM2HTR1AADRA2A | |
| SCHEMBL8022151 | 0.85 | DRD2 (0.80) | DRD2LMNACHRM2HTR1AADRA2A | |
| SCHEMBL2369877 | 0.85 | DRD2 (0.64) | DRD2LMNACHRM2HTR1AADRA2A | |
| SCHEMBL2370415 | 0.84 | DRD2 (0.62) | DRD2LMNACHRM2HTR1AADRA2A | |
| SCHEMBL2910960 | 0.81 | DRD2 (0.68) | DRD2LMNACHRM2HTR1AADRA2A | |
| SCHEMBL2080473 | 0.81 | DRD2 (0.79) | DRD2LMNACHRM2HTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL4187406 | 0.80 | DRD2 (0.67) | DRD2LMNACHRM2HTR1AADRA2A | |
| SCHEMBL17524438 | 0.79 | DRD2 (0.71) | DRD2LMNACHRM2HTR1AADRA2A | |
| SCHEMBL3222759 | 0.79 | DRD2 (0.65) | DRD2LMNACHRM2HTR1AADRA2A | |
| SCHEMBL14359158 | 0.79 | HTR1A (0.65) | DRD2LMNACHRM2HTR1AADRA2A |
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-2544536-A1 | FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME | Kempharm, Inc. (US) | 2013-01-16 | — | — | EP | disclosed |
| WO-2011112657-A1 | FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME | KEMPHARM, INC. (US) | 2011-09-15 | — | — | WO | disclosed |