Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.58 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.58 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.58 |
| ▸ | AGXT | P21549 | 1/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.44 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5999610 | 0.85 | CYP2A6 (0.42) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL12809075 | 0.81 | CYP2A6 (0.55) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL30416943 | 0.81 | CYP2A6 (0.58) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL8053051 | 0.81 | CYP2A6 (0.58) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL377160 | 0.81 | CYP2A6 (0.58) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL27542201 | 0.78 | CYP2A6 (0.59) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL4883365 | 0.78 | CYP2A6 (0.59) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL3113989 | 0.78 | CYP2A6 (0.64) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL2451527 | 0.78 | CYP2A6 (0.64) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL4961407 | 0.77 | CYP2A6 (0.69) | CYP2A6ASIC3LOXL2AGXTADRB2 |
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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011036680-A2 | IMPROVED PROCESS FOR THE PREPARATION OF (±)-1-(1-BENZO[B]THIEN-2-YLETHYL)-1-HYDROXYUREA | MSN LABORATORIES LIMITED (IN) | 2011-03-31 | — | — | WO | claimed |
| EP-3256471-A1 | NOVEL 2-OXO-6,7-DIHYDROBENZO[A]QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2017-12-20 | — | — | EP | disclosed |
| US-9637467-B2 | Treatment of inflammatory bowel disease | ALLERGAN, INC. (US) | 2017-05-02 | — | — | US | disclosed |
| US-9637467-B2 | Treatment of inflammatory bowel disease | ALLERGAN, INC. (US) | 2017-05-02 | — | — | US | disclosed |
| WO-2016128335-A1 | NOVEL 2-OXO-6,7-DIHYDROBENZO[A]QUINOLIZINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2016-08-18 | — | — | WO | disclosed |
| US-9334262-B2 | Methods of treating soft tissue defects | ALLERGAN, INC. (US) | 2016-05-10 | — | — | US | disclosed |
| US-20160096817-A1 | TREATMENT OF INFLAMMATORY BOWEL DISEASE | ALLERGAN, INC. | 2016-04-07 | — | — | US | disclosed |
| US-20160096817-A1 | TREATMENT OF INFLAMMATORY BOWEL DISEASE | ALLERGAN, INC. | 2016-04-07 | — | — | US | disclosed |
| US-9156810-B2 | Treatment of inflammatory bowel disease | ALLERGAN, INC. (US) | 2015-10-13 | — | — | US | disclosed |
| US-9156810-B2 | Treatment of inflammatory bowel disease | ALLERGAN, INC. (US) | 2015-10-13 | — | — | US | disclosed |
| US-7855226-B2 | Treating inflammatory bowel disease by administering prostaglandin derivatives such as (3-{(1R,4S,5S)-5-(3-chloro-benzo[b]thiophen-2-yl)-3-hydroxy-pent-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxo-cyclopentylsulfanyl}-propylsulfanyl)-acetic acid methyl ester | ALLERGAN, INC. (US) | 2010-12-21 | — | — | US | disclosed |
| EP-1831207-A1 | AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE | Amgen Inc. (US) | 2007-09-12 | — | — | EP | disclosed |
| EP-1812387-A1 | 2,3,4-SUBSTITUTED CYCLOPENTANONES AS THERAPEUTIC AGENTS | Allergan, Inc. (US) | 2007-08-01 | — | — | EP | disclosed |
| US-7101906-B2 | 2,3,4-substituted cyclopentanones as therapeutic agents | ALLERGAN, INC. (US) | 2006-09-05 | — | — | US | disclosed |
| WO-2006066172-A1 | AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE | AMGEN, INC. (US) | 2006-06-22 | — | — | WO | disclosed |
| WO-2006055481-A1 | 2,3,4-SUBSTITUTED CYCLOPENTANONES AS THERAPEUTIC AGENTS | ALLERGAN , INC. (US) | 2006-05-26 | — | — | WO | disclosed |
| US-20060106088-A1 | 2,3,4-Substituted cyclopentanones as therapeutic agents | ALLERGAN, INC. (US) | 2006-05-18 | — | — | US | disclosed |
| US-20050164992-A1 | Treating inflammatory bowel disease by administering prostaglandin derivatives such as (3-{(1R,4S,5S)-5-(3-chloro-benzo[b]thiophen-2-yl)-3-hydroxy-pent-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxo-cyclopentylsulfanyl}-propylsulfanyl)-acetic acid methyl ester | ALLERGAN, INC. (US) | 2005-07-28 | — | — | US | disclosed |
| US-4740230-A | Triazine derivatives, and herbicides containing the derivatives as the effective component | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1988-04-26 | — | — | US | disclosed |
| EP-0216259-A1 | Triazine derivatives, a process for preparation of the derivatives, and herbicides containing the derivatives as the effective component | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1987-04-01 | — | — | EP | 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-20160096817-A1 | TREATMENT OF INFLAMMATORY BOWEL DISEASE | SLC10A2, FABP2, LTB4R2 | CYP2A6 1608/4885ASIC3 3978/4885LOXL2 1207/4885 |
| US-20050164992-A1 | Treating inflammatory bowel disease by administering prostaglandin derivatives such as (3-{(1R,4S,5S)-5-(3-chloro-benzo[b]thiophen-2-yl)-3-hydroxy-pent-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxo-cyclopentylsulfanyl}-propylsulfanyl)-acetic acid methyl ester | PTGER1, PTGES, PTGS1 | CYP2A6 442/4885ASIC3 1706/4885LOXL2 378/4885 |
| US-20060106088-A1 | 2,3,4-Substituted cyclopentanones as therapeutic agents | CYCS, CA6, COX6C | CYP2A6 11/4885ASIC3 378/4885LOXL2 1496/4885 |
“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.