Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 16/20 | 0.50 |
| ▸ | HTR3A | P46098 | 16/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11477972 | 0.78 | HTR1A (0.41) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11253111 | 0.77 | HTR1A (0.43) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL11476881 | 0.77 | HTR1A (0.43) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| Bromide SCHEMBL11427829 | 0.76 | HTR1A (0.42) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11477282 | 0.75 | OPRM1 (0.44) | HTR1AHTR3AOPRM1 | |
| Hydrochloric Acid SCHEMBL11477019 | 0.74 | OPRM1 (0.43) | HTR1AHTR3ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11253112 | 0.74 | HTR1A (0.40) | HTR1AHTR3AOPRM1SIGMAR1 | |
| Bromide SCHEMBL11247256 | 0.73 | HTR1A (0.40) | HTR1AHTR3AOPRM1SIGMAR1 | |
| SCHEMBL11477520 | 0.72 | OPRM1 (0.63) | OPRM1 | |
| SCHEMBL23333488 | 0.72 | OPRM1 (0.57) | OPRM1SIGMAR1HTR2C |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0013424-A1 | Spiro(dibenzo(b,f)thiepine-piperidines), intermediate products for their preparation and medicaments containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-07-23 | — | — | EP | disclosed |