Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 4/20 | 0.35 |
| ▸ | GRM5 | P41594 | 6/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.33 |
| ▸ | P2RX2 | Q9UBL9 | 3/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2836777 | 0.87 | ACACB (0.38) | ACACBGRM5MAPK1S1PR3P2RX3 | |
| SCHEMBL2836827 | 0.86 | S1PR3 (0.38) | ACACBMAPK1S1PR3P2RX3P2RX2 | |
| SCHEMBL2839558 | 0.83 | ACACB (0.43) | ACACBGRM5MAPK1S1PR3PDE4D | |
| SCHEMBL2837646 | 0.83 | S1PR3 (0.39) | CYP3A4CYP2D6CYP2C19KCNH2ACACB | |
| SCHEMBL2834935 | 0.81 | S1PR3 (0.38) | S1PR3 | |
| SCHEMBL2832253 | 0.81 | MAPK1 (0.41) | MAPK1S1PR3P2RX3P2RX2 | |
| SCHEMBL7808837 | 0.80 | CYP3A4 (0.42) | CYP3A4CYP2D6CYP2C19KCNH2ACACB | |
| SCHEMBL2833814 | 0.80 | S1PR3 (0.44) | ACACBMAPK1S1PR3P2RX3P2RX2 | |
| SCHEMBL2839740 | 0.78 | S1PR3 (0.40) | ACACBGRM5MAPK1S1PR3P2RX3 | |
| SCHEMBL2834066 | 0.76 | S1PR3 (0.43) | ACACBMAPK1S1PR3P2RX3P2RX2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8367838-B2 | Amines or amino alcohols as GLYT1 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2013-02-05 | — | — | US | disclosed |
| US-20120232033-A1 | AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS | KOLCZEWSKI SABINE (DE) | 2012-09-13 | — | — | US | disclosed |
| EP-2398558-A1 | AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2011-12-28 | — | — | EP | disclosed |
| WO-2010094659-A1 | AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-26 | — | — | WO | disclosed |
| US-20100210592-A1 | AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS | HOFFMANN-LA ROCHE, INC. | 2010-08-19 | — | — | 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 (2 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-20120232033-A1 | AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS | GFPT1, CEPT1, SLC18A2 | CYP3A4 1043/4885CYP2D6 767/4885CYP2C19 1120/4885 |
| US-20100210592-A1 | AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS | GFPT1, CEPT1, SLC18A2 | CYP3A4 1043/4885CYP2D6 767/4885CYP2C19 1120/4885 |
“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.