Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 9/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29282722 | 0.88 | NPC1 (0.69) | NPC1ALDH1A1KDM4EL3MBTL1RAB9A | |
| SCHEMBL19885990 | 0.87 | KDM4E (0.41) | NPC1ALDH1A1KDM4EL3MBTL1HIF1A | |
| SCHEMBL7510800 | 0.81 | PDE10A (0.42) | NPC1ALDH1A1KDM4ESMN1; SMN2HTT | |
| SCHEMBL21961346 | 0.81 | BACE1 (0.37) | NPC1ALDH1A1KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL7517748 | 0.81 | PDE10A (0.43) | NPC1ALDH1A1KDM4ESMN1; SMN2PDE10A | |
| SCHEMBL29419082 | 0.81 | NPC1 (0.51) | NPC1ALDH1A1KDM4EL3MBTL1HIF1A | |
| SCHEMBL18077295 | 0.81 | ALDH1A1 (0.50) | NPC1ALDH1A1KDM4EL3MBTL1HIF1A | |
| SCHEMBL28515221 | 0.81 | NPC1 (0.50) | NPC1ALDH1A1KDM4EL3MBTL1RAB9A | |
| SCHEMBL7514149 | 0.80 | PDE10A (0.45) | NPC1ALDH1A1KDM4ESMN1; SMN2PDE10A | |
| SCHEMBL3059091 | 0.80 | ALDH1A1 (0.50) | NPC1ALDH1A1KDM4EL3MBTL1RAB9A |
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 7 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 |
| CN-102947292-B | nitrogen-containing heteroaryl compounds | HOFFMAN-LA ROCHE LTD. (CH) | 2015-08-19 | — | — | CN | 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 | NPC1 1285/4885ALDH1A1 271/4885KDM4E 2322/4885 |
“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.