Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 3/20 | 0.66 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.66 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.66 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.66 |
| ▸ | HTR2A | P28223 | 2/20 | 0.66 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.66 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.66 |
| ▸ | ACHE | P22303 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9314881 | 0.99 | CYP2D6 (0.66) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| SCHEMBL9722033 | 0.87 | CYP2D6 (0.62) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| SCHEMBL9722040 | 0.85 | CYP2D6 (0.68) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| SCHEMBL9695191 | 0.83 | CYP2D6 (0.60) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| SCHEMBL9721972 | 0.83 | CYP2D6 (0.74) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| SCHEMBL9858161 | 0.83 | CYP2D6 (0.74) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| SCHEMBL10932466 | 0.82 | CYP2D6 (1.00) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| SCHEMBL9722034 | 0.82 | CYP2D6 (0.72) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| SCHEMBL9722021 | 0.82 | CYP2D6 (0.72) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| SCHEMBL9722081 | 0.82 | CYP2D6 (0.72) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE34770-E | 1-benzothiophene derivatives; side effect reduction | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1994-11-01 | — | — | US | disclosed |
| US-5334628-A | Amine derivatives, processes for preparing the same and fungicides containing the same | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1994-08-02 | — | — | US | disclosed |
| US-5200423-A | AMINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND FUNGICIDES CONTAINING THE SAME | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1993-04-06 | — | — | US | disclosed |
| US-5106866-A | Skin disorders | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1992-04-21 | — | — | US | disclosed |
| US-5021458-A | Amine derivatives and fungicides containing the same | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1991-06-04 | — | — | US | disclosed |
| EP-0221781-B1 | BENZYLAMINE DERIVATIVES, PROCESS FOR PRODUCTION THEREOF, AND USE THEREOF | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-05-02 | — | — | EP | disclosed |
| EP-0164697-B1 | AMINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND FUNGICIDES CONTAINING THE SAME | Kaken Pharmaceutical Co., Ltd. (JP) | 1990-11-07 | — | — | EP | disclosed |
| US-4822822-A | FUNGICIDES FOR PLANTS AND ANIMALS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1989-04-18 | — | — | US | disclosed |
| EP-0221781-A2 | Benzylamine derivatives, process for production thereof, and use thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1987-05-13 | — | — | EP | disclosed |
| EP-0164697-A2 | Amine derivatives, processes for preparing the same and fungicides containing the same | Kaken Pharmaceutical Co., Ltd. (JP) | 1985-12-18 | — | — | EP | disclosed |