Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 3/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.52 |
| ▸ | RELA | Q04206 | 3/20 | 0.52 |
| ▸ | FOS | P01100 | 2/20 | 0.52 |
| ▸ | JUN | P05412 | 2/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29442850 | 0.86 | HSP90AA1 (0.45) | NFKB1NFKB2RELAFOSJUN | |
| SCHEMBL18187548 | 0.86 | HSP90AA1 (0.45) | NFKB1NFKB2RELAFOSJUN | |
| SCHEMBL7018836 | 0.85 | HSP90AA1 (0.50) | NFKB1NFKB2RELAFOSJUN | |
| SCHEMBL11790304 | 0.84 | HSP90AA1 (0.48) | NFKB1NFKB2RELAHSP90AA1KDM4E | |
| SCHEMBL9592183 | 0.84 | HSP90AA1 (0.49) | NFKB1NFKB2RELAFOSJUN | |
| SCHEMBL9590323 | 0.84 | ALDH1A1 (0.47) | NFKB1NFKB2RELAFOSJUN | |
| SCHEMBL959574 | 0.83 | CSNK1D (0.54) | NFKB1NFKB2RELAFOSJUN | |
| SCHEMBL762042 | 0.83 | HSP90AA1 (0.50) | NFKB1NFKB2RELAHSP90AA1KDM4E | |
| SCHEMBL11358294 | 0.83 | FOS (0.51) | NFKB1NFKB2RELAFOSJUN | |
| SCHEMBL16697354 | 0.83 | SMN1; SMN2 (0.60) | NFKB1NFKB2RELAFOSJUN |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9034851-B2 | Substituted pyrimidines | MERCK SHARP & DOHME CORP. (US) | 2015-05-19 | — | — | US | disclosed |
| US-20140235583-A1 | SUBSTITUTED PYRIMIDINES | MERCK SHARP & DOHME LLC | 2014-08-21 | — | — | US | disclosed |
| US-8513239-B2 | Chiral cis-imidazolines | HOFFMANN-LA ROCHE INC. (US) | 2013-08-20 | — | — | US | disclosed |
| EP-2203437-B1 | CHIRAL CIS-IMIDAZOLINES | HOFFMANN LA ROCHE (CH) | 2012-11-07 | — | — | EP | disclosed |
| EP-2325180-A1 | Chiral CIS-imidazolines | F. Hoffmann-La Roche AG (CH) | 2011-05-25 | — | — | EP | disclosed |
| US-7705007-B2 | Cis-imidazolines | HOFFMANN-LA ROCHE INC. (US) | 2010-04-27 | — | — | US | disclosed |
| US-20090111789-A1 | CHIRAL CIS-IMIDAZOLINES | HOFFMANN-LA ROCHE, INC. | 2009-04-30 | — | — | US | disclosed |
| EP-1979338-A1 | CIS-4, 5-BIARYL-2-HETEROCYCLIC-IMIDAZOLINES AS MDM2 INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007082805-A1 | CIS-4, 5-BIARYL-2-HETEROCYCLIC-IMIDAZOLINES AS MDM2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-07-26 | — | — | WO | disclosed |
| US-20070167437-A1 | Cis-imidazolines | FOTOUHI NADER | 2007-07-19 | — | — | US | disclosed |
| US-20070037807-A1 | Pyridine compounds as inhibitors of dipeptidyl peptidase IV | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-02-15 | — | — | US | disclosed |
| EP-1678138-A1 | PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | Takeda Pharmaceutical Company Limited (JP) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005042488-A1 | PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 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 (4 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-20140235583-A1 | SUBSTITUTED PYRIMIDINES | HIF1AN, HIF1A, EGLN3 | NFKB1 1843/4885NFKB2 2315/4885RELA 2257/4885 |
| US-20090111789-A1 | CHIRAL CIS-IMIDAZOLINES | FOXM1, CCNE1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | NFKB1 551/4885NFKB2 834/4885RELA 1426/4885 |
| US-20070037807-A1 | Pyridine compounds as inhibitors of dipeptidyl peptidase IV | DPP4, DPP3, PEPD | NFKB1 2636/4885NFKB2 3120/4885RELA 2109/4885 |
| US-20070167437-A1 | Cis-imidazolines | CCNI, CCNE1, CCNA1 | NFKB1 1337/4885NFKB2 1564/4885RELA 2189/4885 |
“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.