Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 4/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ATR | Q13535 | 1/20 | 0.46 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KHK | P50053 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1399351 | 0.87 | CYP1A2 (0.48) | HTTL3MBTL1ALDH1A1KDM4EKMT2A | |
| SCHEMBL11492035 | 0.86 | KDM4E (0.48) | CNR2MAPTHTTATML3MBTL1 | |
| SCHEMBL11354056 | 0.84 | KDM4E (0.54) | MAPTHTTATML3MBTL1ALDH1A1 | |
| SCHEMBL16685608 | 0.82 | ALDH1A1 (0.58) | MAPTHTTATML3MBTL1ALDH1A1 | |
| SCHEMBL11484553 | 0.80 | KDM4E (0.58) | CNR2MAPTHTTATML3MBTL1 | |
| SCHEMBL11483322 | 0.79 | CNR2 (0.52) | CNR2MAPTHTTATML3MBTL1 | |
| SCHEMBL1399406 | 0.78 | MAPT (0.49) | CNR2MAPTHTTATMALDH1A1 | |
| SCHEMBL11492734 | 0.78 | KDM4E (0.56) | HTTATML3MBTL1ALDH1A1HPGD | |
| SCHEMBL11485058 | 0.77 | ATR (0.48) | MAPTL3MBTL1ALDH1A1HPGDKDM4E | |
| SCHEMBL1399302 | 0.76 | CNR2 (0.50) | CNR2MAPTHTTATML3MBTL1 |
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-1776342-B1 | PROCESS FOR PREPARING CARBOXAMIDE PYRIDINE DERIVATIVES USED AS INTERMEDIATES IN THE SYNTHESIS OF NK-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-03-02 | — | — | EP | disclosed |
| US-7384939-B2 | Process for preparation of pyridine derivatives of NK-1 receptor antagonist | ROCHE COLORADO CORPORATION (US) | 2008-06-10 | — | — | US | disclosed |
| EP-1776342-A1 | PROCESS FOR PREPARING CARBOXAMIDE PYRIDINE DERIVATIVES USED AS INTERMEDIATES IN THE SYNTHESIS OF NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-04-25 | — | — | EP | disclosed |
| US-20060014959-A1 | Process for preparation of pyridine derivatives of NK-1 receptor antagonist | ROCHE COLORADO CORPORATION (US) | 2006-01-19 | — | — | US | disclosed |
| WO-2006002860-A1 | PROCESS FOR PREPARING CARBOXAMIDE PYRIDINE DERIVATIVES USED AS INTERMEDIATES IN THE SYNTHESIS OF NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-12 | — | — | 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-20060014959-A1 | Process for preparation of pyridine derivatives of NK-1 receptor antagonist | BDKRB1, TACR1, NPSR1 | CNR2 131/4885MAPT 4769/4885HTT 4789/4885 |
“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.