Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1343845 | 0.80 | CYP2A6 (0.43) | CYP2A6F7HTR2BCYP1A2LMNA | |
| SCHEMBL29702997 | 0.75 | CYP17A1 (0.43) | CYP2A6PTGS1CYP17A1MAPT | |
| SCHEMBL1345811 | 0.75 | HTR2A (0.38) | CYP2A6HTR2AHTR2CHTR2BCYP1A2 | |
| SCHEMBL8059885 | 0.73 | IDO1 (0.57) | NPC1IDO1HDAC6KDM1AHDAC1 | |
| SCHEMBL31349669 | 0.72 | NPC1 (0.48) | NPC1IDO1CYP2A6CA3CA6 | |
| SCHEMBL31549500 | 0.72 | NPC1 (0.48) | NPC1IDO1CYP2A6CA3CA6 | |
| SCHEMBL911242 | 0.69 | CYP2A6 (0.50) | NPC1CYP2A6HDAC6HDAC1CA3 | |
| SCHEMBL13319523 | 0.69 | CYP2A6 (0.43) | CYP2A6HDAC6HTR2AHTR2CHDAC1 | |
| SCHEMBL8183 | 0.69 | CA9 (0.46) | NPC1IDO1CA3CA6CA5A | |
| SCHEMBL6764756 | 0.68 | MAPT (0.45) | NPC1IDO1HDAC6ADORA2ALMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8063035-B2 | Triazolyl aminopyrimidine compounds | ELI LILLY AND COMPANY (US) | 2011-11-22 | — | — | US | disclosed |
| US-20100087431-A1 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | ELI LILLY AND COMPANY | 2010-04-08 | — | — | US | disclosed |
| EP-2155734-A2 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | ELI LILLY AND COMPANY (US) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008144223-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 (1 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-20100087431-A1 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | DPYD, TP53, TYMP | NPC1 2375/4885IDO1 1060/4885CYP2A6 1744/4885 |
“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.