Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 8/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 8/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 7/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL12609785 | 1.00 | CYP3A4 (0.40) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3273405 | 0.78 | ADRB2 (0.48) | ADRB2ADRB3ADRB1KDM4EL3MBTL1 | |
| SCHEMBL6426357 | 0.78 | CYP3A4 (0.43) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6334139 | 0.78 | CYP3A4 (0.43) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4464398 | 0.77 | ADRB2 (0.44) | ADRB2ADRB3ADRB1 | |
| SCHEMBL9646851 | 0.76 | ADRB2 (0.51) | CYP3A4CYP2D6ADRB2ADRB3ADRB1 | |
| SCHEMBL1983382 | 0.76 | CYP3A4 (0.44) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL24390978 | 0.75 | ADRB2 (0.51) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6541805 | 0.74 | CYP3A4 (0.43) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1690587 | 0.74 | POLB (0.49) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 |
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-2688870-B1 | HETEROCYCLIC AMINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-02-01 | — | — | EP | disclosed |
| EP-2688870-B1 | HETEROCYCLIC AMINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-02-01 | — | — | EP | disclosed |
| US-8802673-B2 | Heterocyclic amine derivatives | Hoffmann-La Roche Inc (US) | 2014-08-12 | — | — | US | disclosed |
| US-8802673-B2 | Heterocyclic amine derivatives | Hoffmann-La Roche Inc (US) | 2014-08-12 | — | — | US | disclosed |
| US-8802673-B2 | Heterocyclic amine derivatives | Hoffmann-La Roche Inc (US) | 2014-08-12 | — | — | US | disclosed |
| EP-2688870-A1 | HETEROCYCLIC AMINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-29 | — | — | EP | disclosed |
| CN-103443074-A | Heterocyclic amine derivatives | HOFFMANN LA ROCHE | 2013-12-11 | — | — | CN | disclosed |
| US-20120245172-A1 | HETEROCYCLIC AMINE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2012-09-27 | — | — | US | disclosed |
| US-20120245172-A1 | HETEROCYCLIC AMINE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2012-09-27 | — | — | US | disclosed |
| US-20120245172-A1 | HETEROCYCLIC AMINE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2012-09-27 | — | — | US | disclosed |
| WO-2012126922-A1 | HETEROCYCLIC AMINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-27 | — | — | WO | disclosed |
| WO-2012126922-A1 | HETEROCYCLIC AMINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-27 | — | — | 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 (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-20120245172-A1 | HETEROCYCLIC AMINE DERIVATIVES | TAAR1, TAAR5, MTNR1A | CYP3A4 619/4885CYP2D6 674/4885SLC6A2 189/4885 |
“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.