Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 8/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.51 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.51 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.51 |
| ▸ | CNR1 | P21554 | 1/20 | 0.51 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | HTR7 | P34969 | 1/20 | 0.51 |
| ▸ | HRH1 | P35367 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7356006 | 0.95 | HTR1A (0.50) | HTR1AALDH1A1ADRA1AADRA1BSLC22A2 | |
| SCHEMBL9386416 | 0.87 | HTR1A (0.48) | HTR1AALDH1A1ADRA1AADRA1BSLC22A2 | |
| SCHEMBL11608413 | 0.85 | HTR1A (0.47) | HTR1AALDH1A1ADRA1AADRA1BSLC22A2 | |
| SCHEMBL7410588 | 0.82 | HTR1A (0.55) | HTR1AALDH1A1ADRA1AADRA1BSLC22A2 | |
| SCHEMBL12557639 | 0.82 | HTR1A (0.52) | HTR1AALDH1A1ADRA1AADRA1BSLC22A2 | |
| SCHEMBL7304949 | 0.82 | HTR1A (0.52) | HTR1AALDH1A1ADRA1AADRA1BSLC22A2 | |
| SCHEMBL18463363 | 0.82 | HTR1A (0.52) | HTR1AALDH1A1ADRA1AADRA1BSLC22A2 | |
| Hydrochloric Acid SCHEMBL9424728 | 0.81 | ALDH1A1 (0.52) | HTR1AALDH1A1ADRA1AADRA1BSLC22A2 | |
| SCHEMBL9035109 | 0.81 | HTR1A (0.51) | HTR1AALDH1A1ADRA1AADRA1BSLC22A2 | |
| SCHEMBL14359306 | 0.81 | HTR1A (0.53) | HTR1AALDH1A1ADRA1AADRA1BSLC22A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5077405-A | Condensation of corresponding phenylsulfonyl compound with condensation agent, cyanation, reduction | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-12-31 | — | — | US | disclosed |
| EP-0417653-A1 | 3-(1-Substituted-4-piperazinyl)-1H-indazoles, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-03-20 | — | — | EP | disclosed |
| US-4954503-A | ANALGESIC, ANTIPSYCHOTIC AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1990-09-04 | — | — | US | disclosed |
| EP-0170213-B1 | GLUTARIMIDE ANTIANXIETY AND ANTIHYPERTENSIVE AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-01-10 | — | — | EP | disclosed |
| US-4612312-A | Glutarimide antianxiety and antihypertensive agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1986-09-16 | — | — | US | disclosed |
| EP-0170213-A1 | Glutarimide antianxiety and antihypertensive agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1986-02-05 | — | — | EP | disclosed |