Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 12/20 | 0.61 |
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.57 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.57 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.57 |
| ▸ | MC4R | P32245 | 1/20 | 0.53 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1960380 | 0.85 | SIGMAR1 (0.71) | SIGMAR1HTR1AMC4RGRIN1GRIN2B | |
| SCHEMBL11102234 | 0.84 | SIGMAR1 (0.55) | SIGMAR1HTR1A | |
| Hydrochloric Acid SCHEMBL8791549 | 0.83 | SIGMAR1 (0.68) | SIGMAR1HTR1AMC4RGRIN1GRIN2B | |
| SCHEMBL9515621 | 0.82 | CYP2D6 (0.51) | SIGMAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL5905697 | 0.78 | SETD7 (0.60) | SIGMAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL31134754 | 0.77 | ACHE (0.66) | SIGMAR1ADRA2AADRA2BACHEALDH1A1 | |
| SCHEMBL10978742 | 0.77 | ACHE (0.66) | SIGMAR1ADRA2AADRA2BACHEALDH1A1 | |
| SCHEMBL7326095 | 0.76 | SIGMAR1 (1.00) | SIGMAR1HTR1AADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL16713363 | 0.75 | ACHE (0.64) | SIGMAR1ADRA2AADRA2BACHEALDH1A1 | |
| SCHEMBL11098295 | 0.75 | MC4R (0.61) | SIGMAR1MC4RGRIN1GRIN2BACHE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0057777-B1 | DIBENZOXAZONINE, DIBENZOXAZECINE, DIBENZOXAAZACYCLOUNDECANE DERIVATIVES AND THEIR CORRESPONDING THIA- AND AZA DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | AKZO N.V. (NL) | 1984-10-10 | — | — | EP | disclosed |
| US-4374133-A | PSYCHOLOGICAL DISORDERS | AKZO N.V. (NL) | 1983-02-15 | — | — | US | disclosed |
| EP-0057777-A1 | Dibenzoxazonine, dibenzoxazecine, dibenzoxaazacycloundecane derivatives and their corresponding thia- and aza derivatives, their preparation and pharmaceutical compositions | AKZO N.V. (NL) | 1982-08-18 | — | — | EP | disclosed |
| WO-1982002199-A1 | TRICYCLIC COMPOUNDS | AKZO NV (NL) | 1982-07-08 | — | — | WO | disclosed |