Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 6/20 | 0.43 |
| ▸ | CNR1 | P21554 | 5/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15401441 | 0.83 | GRM4 (0.46) | PDE10ARAB9ANPC1CNR2CNR1 | |
| SCHEMBL13962868 | 0.81 | CNR2 (0.46) | PDE10ARAB9ANPC1CNR2CNR1 | |
| SCHEMBL6415759 | 0.80 | CNR2 (0.47) | PDE10ACNR2CNR1 | |
| SCHEMBL28841192 | 0.80 | PARP1 (0.49) | ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL7459945 | 0.78 | KDM4E (0.48) | ALDH1A1KDM4EHPGDHSD17B10PDE10A | |
| SCHEMBL7452418 | 0.77 | KDM4E (0.49) | ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL9736861 | 0.77 | SMN1; SMN2 (0.50) | ALDH1A1HPGDSMN1; SMN2NPC1CNR2 | |
| SCHEMBL7452205 | 0.77 | KDM4E (0.52) | ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL5902495 | 0.76 | PARP1 (0.50) | ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL15402857 | 0.75 | KDM4E (0.48) | ALDH1A1KDM4EHPGDHSD17B10PDE10A |
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-2580207-B1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2017-09-27 | — | — | EP | claimed |
| US-8703768-B2 | Nitrogen containing heteroaryl compounds | HOFFMANN-LA ROCHE INC. (US) | 2014-04-22 | — | — | US | claimed |
| US-8623866-B2 | — | — | 2014-01-07 | — | — | US | claimed |
| US-20110306589-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-15 | — | — | US | claimed |
| 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 |
| 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 | ALDH1A1 271/4885KDM4E 2322/4885HPGD 603/4885 |
“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.