Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.41 |
| ▸ | EBP | Q15125 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5245017 | 0.87 | SIGMAR1 (0.46) | SIGMAR1EBP | |
| Hydrochloric Acid SCHEMBL9374939 | 0.81 | OPRM1 (0.43) | SIGMAR1EBPALDH1A1MAPK1TP53 | |
| SCHEMBL9374898 | 0.80 | SIGMAR1 (0.48) | SIGMAR1ALDH1A1MAPK1TP53CYP1A2 | |
| Hydrochloric Acid SCHEMBL9376392 | 0.79 | SIGMAR1 (0.51) | SIGMAR1MAPK1TP53CYP1A2CYP3A4 | |
| SCHEMBL7654995 | 0.78 | DRD2 (0.45) | SIGMAR1EBPALDH1A1MAPK1SMN1; SMN2 | |
| SCHEMBL9376129 | 0.77 | SIGMAR1 (0.47) | SIGMAR1ADRA2A | |
| Hydrochloric Acid SCHEMBL9374650 | 0.77 | CHRM2 (0.49) | SIGMAR1EBPMAPK1CHRM2ADRA2A | |
| Hydrochloric Acid SCHEMBL9380497 | 0.75 | SIGMAR1 (0.41) | SIGMAR1ALDH1A1MAPK1SMN1; SMN2CHRM2 | |
| SCHEMBL9374100 | 0.75 | SIGMAR1 (0.50) | SIGMAR1ALDH1A1MAPK1TP53CYP1A2 | |
| SCHEMBL9380415 | 0.75 | RAB9A (0.41) | SIGMAR1ALDH1A1MAPK1SMN1; SMN2TP53 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102256947-A | Substituted 4-(1,2,3,4-tetrahydroisochinolin-2-yl)-4-oxo-butyric acid amide as kcnq2/2 modulators | GRUENENTHAL GMBH | 2011-11-23 | — | — | CN | disclosed |
| EP-0336228-B1 | Tetrahydroisoquinolines and tetrahydrobenzazepines and a process for the preparation thereof | FUJISAWA PHARMACEUTICAL CO (JP) | 1994-11-09 | — | — | EP | disclosed |
| US-5059608-A | Anticonvulsants, antiischemic agents | FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) | 1991-10-22 | — | — | US | disclosed |
| CN-1036758-A | Bicyclic amine compound and preparation method thereof | FUJISAWA PHARMACEUTICAL CO (JP) | 1989-11-01 | — | — | CN | disclosed |
| EP-0336228-A1 | Tetrahydroisoquinolines and tetrahydrobenzazepines and a process for the preparation thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1989-10-11 | — | — | EP | disclosed |