Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27799899 | 0.81 | GAA (0.40) | GAAPOLBALDH1A1AAK1KDM4E | |
| SCHEMBL27643015 | 0.80 | CNR2 (0.39) | GAAPOLBALDH1A1AAK1KDM4E | |
| SCHEMBL3548048 | 0.77 | RAB9A (0.36) | GAAPOLBALDH1A1RAB9AERN1 | |
| SCHEMBL28743169 | 0.74 | ALDH1A1 (0.40) | GAAALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL20424806 | 0.74 | ALDH1A1 (0.52) | GAAALDH1A1ERN1KDM4EHPGD | |
| SCHEMBL30836764 | 0.74 | ALDH1A1 (0.52) | GAAALDH1A1ERN1KDM4EHPGD | |
| SCHEMBL19795353 | 0.74 | ALDH1A1 (0.33) | ALDH1A1ERN1KDM4EMEN1MAPT | |
| SCHEMBL3544784 | 0.73 | RAB9A (0.35) | GAAPOLBALDH1A1RAB9AERN1 | |
| SCHEMBL15231440 | 0.73 | ALDH1A1 (0.53) | GAAALDH1A1RAB9AERN1KDM4E | |
| SCHEMBL27926459 | 0.72 | GAA (0.37) | GAAPOLBALDH1A1NPC1RAB9A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2651899-B1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2017-05-31 | — | — | EP | disclosed |
| US-20160060262-A1 | Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof | GENENTECH, INC. (US) | 2016-03-03 | — | — | US | disclosed |
| US-9206175-B2 | Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof | GENENTECH, INC. (US) | 2015-12-08 | — | — | US | disclosed |
| US-20140088076-A1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2014-03-27 | — | — | US | disclosed |
| US-8623889-B2 | Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof | GENENTECH, INC. (US) | 2014-01-07 | — | — | US | disclosed |
| EP-2651899-A2 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | F.HOFFMANN-LA ROCHE AG (CH) | 2013-10-23 | — | — | EP | disclosed |
| US-20120322785-A1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2012-12-20 | — | — | US | disclosed |
| WO-2012080284-A2 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2012-06-21 | — | — | 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 (3 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-20160060262-A1 | Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof | XDH, CYP2B6, COX6B1 | GAA 3609/4885POLB 2449/4885ALDH1A1 1279/4885 |
| US-20120322785-A1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | XDH, CYP2B6, COX6B1 | GAA 3609/4885POLB 2449/4885ALDH1A1 1279/4885 |
| US-20140088076-A1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | XDH, CYP2B6, COX6B1 | GAA 3609/4885POLB 2449/4885ALDH1A1 1279/4885 |
“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.