Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 12/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 5/20 | 0.43 |
| ▸ | HTR1A | P08908 | 4/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8787429 | 0.94 | DRD2 (0.47) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| SCHEMBL8789177 | 0.93 | ACHE (0.42) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| SCHEMBL7355692 | 0.93 | ACHE (0.42) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| Hydrochloric Acid SCHEMBL8787530 | 0.93 | DRD2 (0.46) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| SCHEMBL9096725 | 0.92 | ACHE (0.44) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| SCHEMBL7773189 | 0.91 | DRD2 (0.46) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| SCHEMBL8787639 | 0.91 | ACHE (0.41) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| SCHEMBL8787558 | 0.88 | DRD2 (0.49) | DRD2HTR2AHTR1AKCNH2 | |
| SCHEMBL8788723 | 0.88 | DRD2 (0.49) | DRD2SLC6A4HTR2AHTR1AHTR7 | |
| SCHEMBL8789443 | 0.88 | ACHE (0.46) | ACHEDRD2SLC6A4HTR2AHTR1A |
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-5637710-A | ETHYL 3-(4-(6-FLUORO-1,2-BENZISOTHIAZOLE-3-YL)-1-PIPERIDINYL)PROPIO -NATE; ETHYL 3-(4-(6-FLUORO-1H-INDAZOLE-3-YL)-1-PIPERAZINYL) PROPIONATE | HOECHST MARION ROUSSEL, INC. (US) | 1997-06-10 | — | — | US | disclosed |
| US-5561128-A | ANALGESICS; ANTIPSYCHOTIC AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-10-01 | — | — | US | disclosed |