Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.38 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | GABRE | P78334 | 1/20 | 0.38 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.38 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.38 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL31098592 | 1.00 | CYP1A2 (0.45) | CYP1A2HPGDSALDH1A1GABRA1GABRG2 | |
| SCHEMBL12359170 | 0.87 | CYP1A2 (0.49) | CYP1A2HPGDSALDH1A1GABRA1GABRG2 | |
| SCHEMBL948907 | 0.86 | CYP1A2 (0.44) | CYP1A2HPGDSALDH1A1GABRA1GABRG2 | |
| SCHEMBL14686051 | 0.86 | CYP1A2 (0.44) | CYP1A2HPGDSALDH1A1GABRA1GABRG2 | |
| SCHEMBL2352200 | 0.86 | CYP1A2 (0.44) | CYP1A2HPGDSALDH1A1GABRA1GABRG2 | |
| SCHEMBL29844105 | 0.86 | CYP1A2 (0.44) | CYP1A2HPGDSALDH1A1GABRA1GABRG2 | |
| SCHEMBL23970505 | 0.84 | CYP4F2 (0.40) | CYP1A2HPGDSALDH1A1GABRA1GABRG2 | |
| SCHEMBL30411259 | 0.84 | CYP4F2 (0.40) | CYP1A2HPGDSALDH1A1GABRA1GABRG2 | |
| SCHEMBL949785 | 0.82 | CYP1A2 (0.44) | CYP1A2HPGDSALDH1A1GABRA1GABRG2 | |
| SCHEMBL183978 | 0.81 | MRGPRX4 (0.52) | CYP1A2BRD4MRGPRX4MAPTPARP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021218992-A1 | SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF IN MEDICINE | 东莞市东阳光新药研发有限公司 | 2021-11-04 | — | — | WO | disclosed |
| CN-113563245-A | Substituted pyrrolidine compounds and application thereof in medicines | 广东东阳光药业有限公司 | 2021-10-29 | — | — | CN | disclosed |
| US-7989446-B2 | 4-amino 5-cyanopyrimidine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-08-02 | — | — | US | disclosed |
| US-7989446-B2 | 4-amino 5-cyanopyrimidine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-08-02 | — | — | US | disclosed |
| US-20110009620-A1 | 4-Amino-5-cyanopyrimidine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. | 2011-01-13 | — | — | US | disclosed |
| US-20110009620-A1 | 4-Amino-5-cyanopyrimidine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. | 2011-01-13 | — | — | US | disclosed |
| US-7834002-B2 | 4-amino-5-cyanopyrimidine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-11-16 | — | — | US | disclosed |
| US-20080182854-A1 | 4-Amino-5-Cyanopyrimidine Derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-07-31 | — | — | US | disclosed |
| EP-1740574-B1 | 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES | OTSUKA PHARMA CO LTD (JP) | 2007-06-27 | — | — | EP | disclosed |
| EP-1740574-A2 | 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES | Otsuka Pharmaceutical Company, Limited (JP) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105778-A2 | 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2005-11-10 | — | — | 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 (2 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-20110009620-A1 | 4-Amino-5-cyanopyrimidine derivatives | ADORA2A, ADORA1, ADORA3 | CYP1A2 497/4885HPGDS 2515/4885ALDH1A1 381/4885 |
| US-20080182854-A1 | 4-Amino-5-Cyanopyrimidine Derivatives | ADORA2A, ADORA1, ADORA3 | CYP1A2 497/4885HPGDS 2515/4885ALDH1A1 381/4885 |
“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.