Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHAT | P28329 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2776015 | 0.82 | CHAT (0.60) | CHATCA1CA2GRM5MEN1 | |
| SCHEMBL29661843 | 0.82 | CHAT (0.60) | CHATCA1CA2GRM5MEN1 | |
| SCHEMBL5881377 | 0.80 | CA1 (0.50) | CHATCA1CA2GRM5MEN1 | |
| SCHEMBL6364668 | 0.80 | CHAT (0.58) | CHATCA1CA2GRM5MEN1 | |
| SCHEMBL28717139 | 0.79 | CHAT (0.46) | CHATCA1CA2GRM5ERN1 | |
| SCHEMBL5014214 | 0.78 | CHAT (0.52) | CHATCA1CA2GRM5MEN1 | |
| SCHEMBL6852315 | 0.77 | HTT (0.42) | ERN1HTTALDH1A1HSD17B10TDP1 | |
| SCHEMBL28836680 | 0.76 | ALDH1A1 (0.50) | CHATCA1CA2GRM5MEN1 | |
| SCHEMBL7103761 | 0.74 | CHAT (0.53) | CHATCA1CA2GRM5MEN1 | |
| SCHEMBL6364670 | 0.74 | CHAT (0.68) | CHATCA1CA2GRM5MEN1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11161823-B2 | Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof | NATIONAL GUARD HEALTH AFFAIRS (SA) | 2021-11-02 | — | — | US | disclosed |
| US-20200290975-A1 | ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF | NATIONAL GUARD HEALTH AFFAIRS (SA) | 2020-09-17 | — | — | US | disclosed |
| US-8138377-B2 | Arylbicyclo[3.1.0]hexylamines and methods and compositions for their preparation and use | DOV PHARMACEUTICAL, INC. (US) | 2012-03-20 | — | — | US | disclosed |
| US-8138377-B2 | Arylbicyclo[3.1.0]hexylamines and methods and compositions for their preparation and use | DOV PHARMACEUTICAL, INC. (US) | 2012-03-20 | — | — | US | disclosed |
| EP-2086328-A2 | NOVEL ARYLBICYCLO[3.1.0]HEXYLAMINES AND METHODS AND COMPOSITIONS FOR THEIR PREPARATION AND USE | DOV Pharmaceutical, Inc. (US) | 2009-08-12 | — | — | EP | disclosed |
| US-20080293822-A1 | Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use | ETHISMOS RESEARCH, INC. | 2008-11-27 | — | — | US | disclosed |
| US-20080293822-A1 | Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use | ETHISMOS RESEARCH, INC. | 2008-11-27 | — | — | US | disclosed |
| US-20080269348-A1 | Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use | ETHISMOS RESEARCH, INC. | 2008-10-30 | — | — | US | disclosed |
| US-20080269348-A1 | Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use | ETHISMOS RESEARCH, INC. | 2008-10-30 | — | — | US | disclosed |
| US-20080194696-A1 | Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use | ETHISMOS RESEARCH, INC. | 2008-08-14 | — | — | US | disclosed |
| US-20080194696-A1 | Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use | ETHISMOS RESEARCH, INC. | 2008-08-14 | — | — | US | disclosed |
| WO-2008057575-A2 | NOVEL ARYLBICYCLO[3.1.0]HEXYLAMINES AND METHODS AND COMPOSITIONS FOR THEIR PREPARATION AND USE | DOV PHARMACEUTICAL, INC. (US) | 2008-05-15 | — | — | WO | disclosed |
| WO-2008057575-A2 | NOVEL ARYLBICYCLO[3.1.0]HEXYLAMINES AND METHODS AND COMPOSITIONS FOR THEIR PREPARATION AND USE | DOV PHARMACEUTICAL, INC. (US) | 2008-05-15 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080194696-A1 | Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use | HTR2C, HTR1B, HTR3C | CHAT 61/4885CA1 3152/4885CA2 4699/4885 |
| US-11161823-B2 | Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof | PDK1, PDHA1, PDHA2 | CHAT 4248/4885CA1 487/4885CA2 2848/4885 |
| US-20080293822-A1 | Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use | HTR2C, HTR1B, HTR3C | CHAT 61/4885CA1 3152/4885CA2 4699/4885 |
| US-20080269348-A1 | Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use | HTR2C, HTR1B, HTR3C | CHAT 61/4885CA1 3152/4885CA2 4699/4885 |
| US-20200290975-A1 | ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF | PDK1, PDHA1, PDHA2 | CHAT 4248/4885CA1 487/4885CA2 2848/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.