Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.71 |
| ▸ | TP53 | P04637 | 5/20 | 0.71 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | HTT | P42858 | 2/20 | 0.71 |
| ▸ | NPC1 | O15118 | 1/20 | 0.71 |
| ▸ | XBP1 | P17861 | 1/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.71 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | GLP1R | P43220 | 1/20 | 0.45 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28283383 | 0.84 | TLR9 (0.49) | MAPTTP53TLR9ALDH1A1HTT | |
| SCHEMBL9423075 | 0.80 | ALDH1A1 (0.44) | MAPTTP53TLR9ALDH1A1HTT | |
| SCHEMBL18528954 | 0.79 | TP53 (0.46) | MAPTTP53TLR9ALDH1A1HTT | |
| SCHEMBL15955800 | 0.78 | HSP90AA1 (0.54) | MAPTTP53TLR9ALDH1A1HTT | |
| SCHEMBL21679019 | 0.78 | MAPT (0.49) | MAPTTP53TLR9ALDH1A1HTT | |
| SCHEMBL30667736 | 0.78 | MAPT (0.49) | MAPTTP53TLR9ALDH1A1HTT | |
| SCHEMBL4763594 | 0.78 | MAPT (0.63) | MAPTTP53TLR9ALDH1A1HTT | |
| SCHEMBL31456656 | 0.77 | TP53 (0.44) | MAPTTP53TLR9ALDH1A1HTT | |
| SCHEMBL6866134 | 0.77 | NPC1 (0.42) | MAPTTP53TLR9ALDH1A1HTT | |
| SCHEMBL2160733 | 0.75 | MEN1 (0.54) | MAPTTP53TLR9ALDH1A1HTT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2526098-B1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2018-07-11 | — | — | EP | disclosed |
| EP-2580207-B1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2017-09-27 | — | — | EP | disclosed |
| US-8703768-B2 | Nitrogen containing heteroaryl compounds | HOFFMANN-LA ROCHE INC. (US) | 2014-04-22 | — | — | US | disclosed |
| US-8623866-B2 | — | — | 2014-01-07 | — | — | US | disclosed |
| US-8470820-B2 | Nitrogen-containing heteroaryl derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-06-25 | — | — | US | disclosed |
| EP-2580207-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2013-04-17 | — | — | EP | disclosed |
| WO-2011154327-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-15 | — | — | WO | disclosed |
| US-20110306589-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-15 | — | — | US | disclosed |
| US-20110183979-A1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-28 | — | — | US | disclosed |
| WO-2011089132-A1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-28 | — | — | 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-20110306589-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | PDE10A, PDE3A, PDE2A | MAPT 4100/4885TP53 4670/4885TLR9 3425/4885 |
| US-20110183979-A1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | PDE3A, PDE2A, PDE10A | MAPT 4445/4885TP53 4773/4885TLR9 2990/4885 |
“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.