Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 11/20 | 0.66 |
| ▸ | ERBB3 | P21860 | 3/20 | 0.64 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.53 |
| ▸ | HTR3B | O95264 | 1/20 | 0.53 |
| ▸ | HTR3A | P46098 | 1/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.53 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.53 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.53 |
| ▸ | FADS1 | O60427 | 3/20 | 0.51 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.49 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.49 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | PRNP | P04156 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2173883 | 0.98 | EGFR (0.64) | EGFRERBB3TNNI3KNPC1HTR3E | |
| SCHEMBL374472 | 0.85 | EGFR (0.64) | EGFRERBB3TNNI3KHTR3EHTR3B | |
| SCHEMBL857502 | 0.84 | NPC1 (0.63) | EGFRERBB3TNNI3KNPC1MKNK1 | |
| SCHEMBL691533 | 0.83 | EGFR (0.57) | EGFRERBB3TNNI3KNPC1 | |
| SCHEMBL2279629 | 0.83 | EGFR (0.59) | EGFRERBB3TNNI3KNPC1MKNK1 | |
| SCHEMBL2279563 | 0.83 | MEN1 (0.56) | EGFRERBB3NPC1MKNK1ERBB2 | |
| SCHEMBL20093470 | 0.83 | NPC1 (0.51) | EGFRERBB3TNNI3KNPC1HTR3E | |
| SCHEMBL12510600 | 0.83 | NPC1 (0.51) | EGFRERBB3TNNI3KNPC1MKNK1 | |
| SCHEMBL657571 | 0.83 | TP53 (0.62) | EGFRERBB3NPC1TTBK1TTBK2 | |
| SCHEMBL374148 | 0.83 | EGFR (0.71) | EGFRERBB3TNNI3KNPC1HTR3E |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2519501-B1 | SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS | UNIV WIEN TECH (AT) | 2015-04-22 | — | — | EP | disclosed |
| US-8986994-B2 | Substituted pyridines and pyrimidines | TECHNISCHE UNIVERSITAET WIEN (AT) | 2015-03-24 | — | — | US | disclosed |
| US-8986994-B2 | Substituted pyridines and pyrimidines | TECHNISCHE UNIVERSITAET WIEN (AT) | 2015-03-24 | — | — | US | disclosed |
| US-20120329784-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC | 2012-12-27 | — | — | US | disclosed |
| US-20120294835-A1 | SUBSTITUTED PYRIDINES AND PYRIMIDINES | MEDIZINISCHE UNIVERSITAET WIEN (AT) | 2012-11-22 | — | — | US | disclosed |
| US-20120294835-A1 | SUBSTITUTED PYRIDINES AND PYRIMIDINES | MEDIZINISCHE UNIVERSITAET WIEN (AT) | 2012-11-22 | — | — | US | disclosed |
| WO-2011079343-A2 | SUBSTITUTED PYRIDINES AND PYRIMIDINES | TECHNISCHE UNIVERSITAET WIEN (AT) | 2011-07-07 | — | — | WO | disclosed |
| WO-2009029617-A1 | DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |
| WO-2009029617-A1 | DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | 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-20120329784-A1 | COMPOUNDS AND METHODS | RB1, DHFR, NQO1 | EGFR 888/4885ERBB3 690/4885TNNI3K 2596/4885 |
| US-20120294835-A1 | SUBSTITUTED PYRIDINES AND PYRIMIDINES | TNNI3, TNNT2, PROX1 | EGFR 4266/4885ERBB3 4256/4885TNNI3K 242/4885 |
“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.