Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.61 |
| ▸ | CES1 | P23141 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | JAK1 | P23458 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8733472 | 0.82 | CES2 (0.63) | CES2CES1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL11043385 | 0.80 | CES2 (0.61) | CES2CES1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL29613672 | 0.76 | CES2 (0.74) | CES2CES1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL31032483 | 0.76 | CES2 (1.00) | CES2CES1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL30250451 | 0.76 | CES2 (0.74) | CES2CES1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL31599171 | 0.76 | L3MBTL1 (0.46) | CES2CES1HPGDALDH1A1PKM | |
| SCHEMBL941698 | 0.76 | CES2 (0.74) | CES2CES1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL7220072 | 0.76 | CES2 (1.00) | CES2CES1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL9776467 | 0.75 | TSHR (0.40) | CES2CES1HPGDALDH1A1MAPT | |
| SCHEMBL2662872 | 0.74 | VCP (0.60) | CES2CES1HPGDSMN1; SMN2KDM4E |
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-113731504-A | Catalyst and preparation method and application thereof | 天津理工大学 | 2021-12-03 | — | — | CN | disclosed |
| US-10980754-B2 | Anti-fungal compounds | SAINT LOUIS UNIVERSITY (US) | 2021-04-20 | — | — | US | disclosed |
| CN-112552257-A | 3, 5-disubstituted isothiazole compound and synthesis method and application thereof | 五邑大学 | 2021-03-26 | — | — | CN | disclosed |
| US-10383831-B2 | 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use | Temple University—Of the Commonwealth System of Higher Education (US) | 2019-08-20 | — | — | US | disclosed |
| US-20190099385-A1 | ANTI-FUNGAL COMPOUNDS | SAINT LOUIS UNIVERSITY (US) | 2019-04-04 | — | — | US | disclosed |
| US-20180243239-A1 | 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE | TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION | 2018-08-30 | — | — | US | disclosed |
| WO-2017023912-A1 | 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE | TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2017-02-09 | — | — | 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 |
| 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-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 |
| 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 (7 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 | CES2 355/4885CES1 1366/4885HPGD 2288/4885 |
| US-20080293822-A1 | Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use | HTR2C, HTR1B, HTR3C | CES2 355/4885CES1 1366/4885HPGD 2288/4885 |
| US-10383831-B2 | 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use | CCNY, STS, ARSA | CES2 870/4885CES1 554/4885HPGD 3416/4885 |
| US-20080269348-A1 | Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use | HTR2C, HTR1B, HTR3C | CES2 355/4885CES1 1366/4885HPGD 2288/4885 |
| US-20190099385-A1 | ANTI-FUNGAL COMPOUNDS | ERG28, NANS, DPM1 | CES2 3729/4885CES1 3720/4885HPGD 1454/4885 |
| US-20180243239-A1 | 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE | CCNY, STS, ARSA | CES2 870/4885CES1 554/4885HPGD 3416/4885 |
| US-10980754-B2 | Anti-fungal compounds | ERG28, NANS, DPM1 | CES2 3729/4885CES1 3720/4885HPGD 1454/4885 |
“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.