Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 5/20 | 0.74 |
| ▸ | HTR7 | P34969 | 3/20 | 0.60 |
| ▸ | HTR3A | P46098 | 8/20 | 0.55 |
| ▸ | HTR1A | P08908 | 7/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | DRD2 | P14416 | 2/20 | 0.50 |
| ▸ | DRD3 | P35462 | 2/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.50 |
| ▸ | HTR3B | O95264 | 2/20 | 0.50 |
| ▸ | HTR6 | P50406 | 2/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.50 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | NCF1 | P14598 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | HTR1D | P28221 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29699369 | 0.85 | ADRB1 (1.00) | ADRB1HTR7HTR3AHTR1ACYP1A2 | |
| SCHEMBL218837 | 0.85 | ADRB1 (1.00) | ADRB1HTR7HTR3AHTR1ACYP1A2 | |
| Piperazine SCHEMBL27593403 | 0.84 | ADRB1 (0.96) | ADRB1HTR7HTR3AHTR1ACYP1A2 | |
| Hydrochloric Acid SCHEMBL27850954 | 0.84 | ADRB1 (0.96) | ADRB1HTR7HTR3AHTR1ACYP1A2 | |
| Iodide SCHEMBL11457680 | 0.84 | ADRB1 (0.96) | ADRB1HTR7HTR3AHTR1ACYP1A2 | |
| Hydrochloric Acid SCHEMBL1894847 | 0.84 | ADRB1 (0.96) | ADRB1HTR7HTR3AHTR1ACYP1A2 | |
| SCHEMBL9055545 | 0.82 | ADRB1 (0.69) | ADRB1HTR7HTR3AHTR1ACYP1A2 | |
| SCHEMBL2209183 | 0.81 | ADRB1 (1.00) | ADRB1HTR7HTR3AHTR1ACYP1A2 | |
| SCHEMBL29432760 | 0.81 | ADRB1 (1.00) | ADRB1HTR7HTR3AHTR1ACYP1A2 | |
| SCHEMBL4896 | 0.81 | ADRB1 (1.00) | ADRB1HTR7HTR3AHTR1ACYP1A2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100542534-C | Substituted piperazines | CHEMOCENTRYX INC (US) | 2009-09-23 | — | — | CN | disclosed |
| US-6284775-B1 | PSYCHOLOGICAL DISORDERS | AVENTIS PHARMACEUTICALS INC. | 2001-09-04 | — | — | US | disclosed |
| US-5801186-A | ANTIPSYCHOTIC AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1998-09-01 | — | — | US | disclosed |
| US-5371087-A | Antipsychotic, analgesics, anticonvulsant and anxiolytic agent | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-12-06 | — | — | US | disclosed |
| US-5229388-A | 3-[4-(1-substituted-4-piperazinyl)butyl]-4-thiazolidinone and related compounds | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1993-07-20 | — | — | US | disclosed |
| EP-0316723-B1 | 3-[4(1-Substituted-4-piperazinyl)butyl]-4-thiazolidinones a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1992-09-30 | — | — | EP | disclosed |
| US-5136037-A | 3-(4-substituted-4-piperazinyl)butyl-4-thiazolidinone and related compounds | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1992-08-04 | — | — | US | disclosed |
| US-5037984-A | Anticonvulsants; anxiolytic agents | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1991-08-06 | — | — | US | disclosed |
| US-4933453-A | ANTIPSYCHOTIC, ANALGESIC, ANTICONVULSANT, AND ANXIOLYTIC AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1990-06-12 | — | — | US | disclosed |