Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.42 |
| ▸ | CTSA | P10619 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | P4HB | P07237 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4707217 | 0.79 | CYP2C19 (0.45) | CYP2C19KCNA5CTSAKDM4CAOC3 | |
| SCHEMBL230382 | 0.79 | ADRB2 (0.48) | CYP2C19AOC3KDM4EALDH1A1MAPT | |
| SCHEMBL29976363 | 0.79 | ADRB2 (0.48) | CYP2C19AOC3KDM4EALDH1A1MAPT | |
| SCHEMBL3887083 | 0.79 | SMN1; SMN2 (0.47) | KCNA5NAPRTKDM4EALDH1A1MAPT | |
| SCHEMBL5218484 | 0.74 | CYP11B1 (0.40) | AOC3NAPRTP4HBKMT2ASMN1; SMN2 | |
| SCHEMBL29751863 | 0.72 | — | — | |
| SCHEMBL363908 | 0.72 | — | — | |
| SCHEMBL2474310 | 0.72 | L3MBTL1 (0.34) | NAPRTALDH1A1HTTKMT2AHPGD | |
| SCHEMBL23490092 | 0.72 | NAPRT (0.42) | CYP2C19NAPRTKDM4EHPGDCYP1A2 | |
| SCHEMBL3647568 | 0.72 | NAPRT (0.42) | CYP2C19NAPRTKDM4EHPGDCYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1675846-B1 | NOVEL CRYSTALLINE FORMS OF {2-[1-(3,5-BIS-TRIFLUOROMETHYLBENZYL)-5-PYRIDIN-4-YL-1H- [1,2,3]TRIAZOL-4-YL]-PYRIDIN-3-YL}-(2-CHLOROPHENYL)-METHANONE | LILLY CO ELI (US) | 2010-03-31 | — | — | EP | disclosed |
| US-7381826-B2 | Crystalline forms of {2-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-4-yl-1H-[1,2,3]triazol-4-yl]-pyridin-3-yl}-(2-chlorophenyl)-methanone | ELI LILLY AND COMPANY (US) | 2008-06-03 | — | — | US | disclosed |
| US-20070078166-A1 | Novel crystalline forms of {2-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-4-yl-1h-[1,2,3] triazol-4-yl]-pyridin-3-yl}-(2-chlorophenyl)-methanone | ELI LILLY AND COMPANY PATENT DIVISION (US) | 2007-04-05 | — | — | US | disclosed |
| EP-1675846-A1 | NOVEL CRYSTALLINE FORMS OF {2-[1-(3,5-BIS-TRIFLUOROMETHYLBENZYL)-5-PYRIDIN-4-YL-1H- [1,2,3]TRIAZOL-4-YL]-PYRIDIN-3-YL}-(2-CHLOROPHENYL)-METHANONE | ELI LILLY AND COMPANY (US) | 2006-07-05 | — | — | EP | disclosed |
| WO-2005042515-A1 | NOVEL CRYSTALLINE FORMS OF {2-[1-(3,5-BIS-TRIFLUOROMETHYLBENZYL)-5-PYRIDIN-4-YL-1H-[1,2,3]TRIAZOL-4-YL]-PYRIDIN-3-YL}-(2-CHLOROPHENYL)-METHANONE | ELI LILLY AND COMPANY (US) | 2005-05-12 | — | — | 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-20070078166-A1 | Novel crystalline forms of {2-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-4-yl-1h-[1,2,3] triazol-4-yl]-pyridin-3-yl}-(2-chlorophenyl)-methanone | PLK2, PDXK, PLK3 | CYP2C19 355/4885KCNA5 269/4885CTSA 4045/4885 |
“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.