Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BPTF | Q12830 | 3/20 | 0.45 |
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SUV39H1 | O43463 | 2/20 | 0.38 |
| ▸ | PRMT1 | Q99873 | 2/20 | 0.38 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.38 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4285704 | 0.82 | ALDH1A1 (0.50) | HTTLMNA | |
| SCHEMBL7516849 | 0.80 | PDE10A (0.46) | SMYD3HTTLMNA | |
| SCHEMBL7517408 | 0.80 | PDE10A (0.43) | HTTLMNA | |
| SCHEMBL7519219 | 0.79 | PDE10A (0.44) | HTTLMNA | |
| SCHEMBL15402324 | 0.77 | PDE10A (0.48) | HTTLMNA | |
| SCHEMBL7513777 | 0.76 | PDE10A (0.49) | BPTFPBK | |
| SCHEMBL7453534 | 0.73 | PDE10A (0.47) | HTTLMNA | |
| SCHEMBL23464191 | 0.72 | KHK (0.53) | SMYD3SUV39H1PRMT1MAPK1HDAC4 | |
| SCHEMBL7461101 | 0.71 | HTT (0.42) | HTT | |
| SCHEMBL20067660 | 0.69 | MERTK (0.58) | — |
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 12 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 |
| EP-2580207-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2013-04-17 | — | — | EP | claimed |
| WO-2011154327-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-15 | — | — | WO | 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 |
| 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 | BPTF 4123/4885PARP1 1216/4885SMYD3 2951/4885 |
“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.