Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.40 |
| ▸ | HRH1 | P35367 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | HRH2 | P25021 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7633113 | 0.82 | CNR1 (0.41) | CNR1SLC6A3HTR2AHRH1TSHR | |
| SCHEMBL5635206 | 0.81 | HRH1 (0.60) | SLC6A3HTR2AHRH1CHRM2CHRM1 | |
| SCHEMBL318816 | 0.80 | CYP19A1 (0.47) | CNR1SLC6A3HTR2AHRH1TSHR | |
| SCHEMBL11799471 | 0.80 | CYP19A1 (0.47) | CNR1SLC6A3HTR2AHRH1TDP1 | |
| SCHEMBL30949073 | 0.80 | AOC3 (0.48) | TSHRMAPK1HIF1ATDP1NFKB1 | |
| SCHEMBL30949064 | 0.80 | AOC3 (0.48) | TSHRMAPK1HIF1ATDP1NFKB1 | |
| SCHEMBL11028921 | 0.80 | SLC6A3 (0.40) | CNR1SLC6A3HTR2AHRH1TSHR | |
| SCHEMBL11028893 | 0.80 | SLC6A3 (0.40) | CNR1SLC6A3HTR2AHRH1TSHR | |
| SCHEMBL3711770 | 0.78 | SLC6A3 (0.51) | CNR1SLC6A3SLC6A2SLC6A4SIGMAR1 | |
| SCHEMBL30798706 | 0.78 | ADRB2 (0.45) | SLC6A3HTR2AHRH1TSHRMAPK1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6350892-B1 | ENZYME INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2002-02-26 | — | — | US | disclosed |
| US-6255496-B1 | CYTOSOLIC PHOSPHATIDE 2-ACYLHYDROLASE ENZYME INHIBITORS; CONTROLLING INFLAMMATORY DISEASES | BRISTOL-MYERS SQUIBB COMPANY | 2001-07-03 | — | — | US | disclosed |
| EP-0102034-B1 | SPIRO(2H-1,4-BENZODIOXEPIN-3(5H)4'-PIPERIDINE AND 3'-PYRROLIDINO) COMPOUNDS, A PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1988-04-20 | — | — | EP | disclosed |
| US-4695637-A | HYPOTENSIVE AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1987-09-22 | — | — | US | disclosed |
| US-4668791-A | HYPOTENSIVE, ALDEHYDES | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1987-05-26 | — | — | US | disclosed |
| US-4579950-A | HYPOTENSIVE AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1986-04-01 | — | — | US | disclosed |
| US-4577026-A | HYPOTENSIVE AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1986-03-18 | — | — | US | disclosed |
| US-4569998-A | HYPOTENSIVE AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1986-02-11 | — | — | US | disclosed |
| US-4521537-A | ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1985-06-04 | — | — | US | disclosed |
| US-4472580-A | Spiro (2H-1,4-benzodioxepin-3 (5H)4-piperidine and -3-pyrrolidine) compounds and their use as anti-hypertensive agents | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1984-09-18 | — | — | US | disclosed |
| EP-0102034-A1 | Spiro(2H-1,4-benzodioxepin-3(5H)4'-piperidine and 3'-pyrrolidino) compounds, a process for preparing the same and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1984-03-07 | — | — | EP | disclosed |
| US-4405631-A | Spiro[2H-1,4-benzodioxepin-3(5H)4'-piperidine and -3'pyrrolidine] compounds and their use as antihypertensive agents | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1983-09-20 | — | — | US | disclosed |
| US-4073784-A | Certain as-triazino 4,3-a! 1,4!benzodiazepine-1,2-dione compounds | THE UPJOHN COMPANY (US) | 1978-02-14 | — | — | US | disclosed |
| US-3989707-A | NEUROLEPTIC AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1976-11-02 | — | — | US | disclosed |