Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.56 |
| ▸ | GAA | P10253 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CFTR | P13569 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL267612 | 0.88 | ALDH1A1 (0.56) | KDM4EALDH1A1MAPTHSD17B10GAA | |
| SCHEMBL4257305 | 0.88 | ALDH1A1 (0.56) | KDM4EALDH1A1MAPTHSD17B10GAA | |
| SCHEMBL13163934 | 0.87 | ALDH1A1 (0.55) | KDM4EALDH1A1MAPTHSD17B10GAA | |
| SCHEMBL1012515 | 0.87 | KDM4E (0.55) | KDM4EALDH1A1MAPTHSD17B10GAA | |
| SCHEMBL13740239 | 0.84 | ALDH1A1 (0.59) | KDM4EALDH1A1MAPTHSD17B10GAA | |
| SCHEMBL30710211 | 0.84 | MAPT (0.52) | KDM4EALDH1A1MAPTHSD17B10GAA | |
| SCHEMBL13163935 | 0.84 | KDM4E (0.52) | KDM4EALDH1A1MAPTHSD17B10GAA | |
| SCHEMBL7452118 | 0.84 | BRAF (0.50) | KDM4EALDH1A1MAPTHSD17B10GAA | |
| SCHEMBL23758029 | 0.83 | ALDH1A1 (0.51) | KDM4EALDH1A1MAPTHSD17B10GAA | |
| SCHEMBL13163939 | 0.83 | ALDH1A1 (0.51) | KDM4EALDH1A1MAPTHSD17B10GAA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
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-20110306589-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | PDE10A, PDE3A, PDE2A | KDM4E 2322/4885ALDH1A1 271/4885MAPT 4100/4885 |
“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.