Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | PLA2G7 | Q13093 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1338523 | 0.81 | ATR (0.35) | CYP2A6DRD1ATRADRB2CHRM2 | |
| SCHEMBL2874415 | 0.78 | MAP3K7 (0.34) | CYP2A6DRD1ATRADRB2CHRM2 | |
| SCHEMBL4439252 | 0.77 | ATR (0.37) | CYP2A6DRD1ATRADRB2CHRM2 | |
| SCHEMBL595134 | 0.77 | ADRB2 (0.35) | DRD1ATRADRB2CHRM2ADRB1 | |
| SCHEMBL594957 | 0.77 | ADRB2 (0.33) | DRD1ATRADRB2CHRM2ADRB1 | |
| SCHEMBL13863788 | 0.75 | CYP2A6 (0.39) | CYP2A6DRD1ATRPLA2G7HTR2A | |
| SCHEMBL2876929 | 0.75 | ATR (0.34) | CYP2A6DRD1ATRADRB2CHRM2 | |
| SCHEMBL14831141 | 0.75 | CYP17A1 (0.43) | CYP2A6CYP3A4CYP2C19DRD1ATR | |
| SCHEMBL17124466 | 0.74 | CYP2A6 (0.43) | CYP2A6CYP3A4ATRPLA2G7SLC6A3 | |
| SCHEMBL14830903 | 0.73 | CYP17A1 (0.53) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8114872-B2 | Triazolyl aminopyrimidine compounds | ELI LILLY AND COMPANY (US) | 2012-02-14 | — | — | US | disclosed |
| US-8101628-B2 | Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer | ELI LILLY AND COMPANY (US) | 2012-01-24 | — | — | US | disclosed |
| EP-2125793-B1 | IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER | LILLY CO ELI (US) | 2010-09-01 | — | — | EP | disclosed |
| US-20100130466-A1 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | ELI LILLY AND COMPANY | 2010-05-27 | — | — | US | disclosed |
| US-20100076001-A1 | IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER | ELI LILLY AND COMPANY | 2010-03-25 | — | — | US | disclosed |
| EP-2155735-A2 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | ELI LILLY AND COMPANY (US) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008144222-A2 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | ELI LILLY AND COMPANY (US) | 2008-11-27 | — | — | 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-20100076001-A1 | IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER | PLK1, BUB1B, BUB1 | CYP2A6 4648/4885CYP3A4 4367/4885CYP2B6 4488/4885 |
| US-20100130466-A1 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | DPYD, TP53, TYMP | CYP2A6 1744/4885CYP3A4 586/4885CYP2B6 971/4885 |
“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.