Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.59 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.49 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8082622 | 0.89 | IDO1 (0.62) | IDO1GPR84ADRA1AHTR1A | |
| SCHEMBL448693 | 0.86 | IDO1 (0.56) | IDO1GPR84PDPK1RETHTR2A | |
| SCHEMBL7258599 | 0.85 | IDO1 (0.63) | IDO1GPR84PDPK1RETHTR2A | |
| SCHEMBL449978 | 0.83 | IDO1 (0.53) | IDO1GPR84PDPK1RETHTR2A | |
| SCHEMBL448580 | 0.82 | IDO1 (0.51) | IDO1GPR84PDPK1BRD4 | |
| SCHEMBL14461584 | 0.81 | IDO1 (0.59) | IDO1GPR84PDPK1HTR6MAOA | |
| SCHEMBL30462590 | 0.81 | IDO1 (0.54) | IDO1GPR84PDPK1HTR1A | |
| SCHEMBL452347 | 0.80 | IDO1 (0.50) | IDO1GPR84PDPK1BRD4 | |
| SCHEMBL19359157 | 0.79 | IDO1 (0.56) | IDO1GPR84PDPK1RETHTR2A | |
| SCHEMBL7410008 | 0.79 | IDO1 (0.61) | IDO1GPR84PDPK1RETHTR2A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3590940-B1 | HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES | HOFFMANN LA ROCHE (CH) | 2021-06-09 | — | — | EP | disclosed |
| US-20200339570-A1 | BICYCLIC DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2020-10-29 | — | — | US | disclosed |
| US-10669268-B2 | Bicyclic derivatives | HOFFMANN-LA ROCHE INC. (US) | 2020-06-02 | — | — | US | disclosed |
| EP-2900669-B1 | HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES | HOFFMANN LA ROCHE (CH) | 2019-09-04 | — | — | EP | disclosed |
| US-20180118741-A1 | NEW BICYCLIC DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2018-05-03 | — | — | US | disclosed |
| US-20170050960-A1 | NEW BICYCLIC DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2017-02-23 | — | — | US | disclosed |
| US-20150353559-A1 | NEW BICYCLIC DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2015-12-10 | — | — | US | disclosed |
| US-9206173-B2 | Heterocyclic compounds for the treatment of stress-related conditions | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2015-12-08 | — | — | US | disclosed |
| EP-2435046-B1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS | OTSUKA PHARMA CO LTD (JP) | 2013-09-04 | — | — | EP | disclosed |
| US-20120065189-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-03-15 | — | — | US | disclosed |
| WO-2010137738-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-12-02 | — | — | 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 (6 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-10669268-B2 | Bicyclic derivatives | CCNY, BICRA, UQCRB | IDO1 747/4885GPR84 2559/4885PDPK1 2778/4885 |
| US-20170050960-A1 | NEW BICYCLIC DERIVATIVES | BICRA, CCNY, UQCRB | IDO1 1149/4885GPR84 2340/4885PDPK1 2567/4885 |
| US-20180118741-A1 | NEW BICYCLIC DERIVATIVES | BICRA, CCNY, UQCRB | IDO1 1149/4885GPR84 2340/4885PDPK1 2567/4885 |
| US-20150353559-A1 | NEW BICYCLIC DERIVATIVES | BICRA, CCNY, UQCRB | IDO1 1149/4885GPR84 2340/4885PDPK1 2567/4885 |
| US-20200339570-A1 | BICYCLIC DERIVATIVES | CCNY, BICRA, UQCRB | IDO1 747/4885GPR84 2559/4885PDPK1 2778/4885 |
| US-20120065189-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS | NR3C1, NR3C2, CRH | IDO1 646/4885GPR84 1196/4885PDPK1 3296/4885 |
“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.