Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5573799 | 0.80 | ASIC3 (0.53) | CYP1A2CYP1A1CYP1B1ASIC3ACACB | |
| SCHEMBL9266152 | 0.77 | RAB9A (0.53) | CYP1A2CYP1A1CYP1B1ASIC3ACACB | |
| SCHEMBL69325 | 0.76 | CES2 (0.43) | CYP1A2CYP1A1CYP1B1CA1CA2 | |
| SCHEMBL7702432 | 0.76 | CYP1A2 (0.48) | CYP1A2CYP1A1CYP1B1ASIC3ACACB | |
| SCHEMBL6854251 | 0.75 | ALDH1A1 (0.46) | CYP1A2ACACBRAB9AALDH1A1CYP3A4 | |
| SCHEMBL6854101 | 0.75 | NPC1 (0.49) | ACACBRAB9AALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL9191697 | 0.74 | FFAR1 (0.51) | CYP1A2CYP1A1CYP1B1ASIC3ACACB | |
| SCHEMBL28566676 | 0.74 | ACACB (0.48) | CYP1A2CYP1A1CYP1B1ASIC3ACACB | |
| SCHEMBL30447338 | 0.74 | ASIC3 (0.63) | CYP1A2CYP1A1CYP1B1ASIC3ACACB | |
| SCHEMBL10705668 | 0.74 | ASIC3 (0.63) | CYP1A2CYP1A1CYP1B1ASIC3ACACB |
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 |
|---|---|---|---|---|---|---|---|
| CN-112552257-A | 3, 5-disubstituted isothiazole compound and synthesis method and application thereof | 五邑大学 | 2021-03-26 | — | — | CN | disclosed |
| WO-2017184752-A1 | ANTI-FUNGAL COMPOUNDS | SAINT LOUIS UNIVERSITY (US) | 2017-10-26 | — | — | WO | 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 (3 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 | CYP1A2 221/4885CYP1A1 193/4885CYP1B1 114/4885 |
| US-20080293822-A1 | Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use | HTR2C, HTR1B, HTR3C | CYP1A2 221/4885CYP1A1 193/4885CYP1B1 114/4885 |
| US-20080269348-A1 | Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use | HTR2C, HTR1B, HTR3C | CYP1A2 221/4885CYP1A1 193/4885CYP1B1 114/4885 |
“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.