Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.41 |
| ▸ | CNR1 | P21554 | 3/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL412123 | 1.00 | PTGS2 (0.45) | PTGS2MAP4K4CNR1S1PR1S1PR3 | |
| SCHEMBL2115645 | 0.89 | MAP4K4 (0.43) | PTGS2MAP4K4CNR1S1PR1S1PR3 | |
| SCHEMBL9978236 | 0.85 | CNR1 (0.48) | PTGS2MAP4K4CNR1S1PR1S1PR3 | |
| SCHEMBL439869 | 0.85 | CNR1 (0.48) | PTGS2MAP4K4CNR1S1PR1S1PR3 | |
| SCHEMBL410515 | 0.85 | CNR1 (0.48) | PTGS2MAP4K4CNR1S1PR1S1PR3 | |
| SCHEMBL412128 | 0.83 | CNR1 (0.49) | PTGS2CNR1S1PR1S1PR3S1PR5 | |
| SCHEMBL440364 | 0.83 | CNR1 (0.49) | PTGS2CNR1S1PR1S1PR3S1PR5 | |
| SCHEMBL2114326 | 0.79 | PTGS2 (0.41) | PTGS2MAP4K4CNR1S1PR1S1PR3 | |
| SCHEMBL2114328 | 0.79 | PTGS2 (0.41) | PTGS2MAP4K4CNR1S1PR1S1PR3 | |
| SCHEMBL2114466 | 0.77 | MAP4K4 (0.39) | MAP4K4CNR1S1PR1S1PR3S1PR5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8729105-B2 | Heteroarylmethyl amides | HOFFMANN LA-ROCHE INC. (US) | 2014-05-20 | — | — | US | disclosed |
| US-20120065212-A1 | HETEROARYLMETHYL AMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-03-15 | — | — | 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-20120065212-A1 | HETEROARYLMETHYL AMIDES | APOB, LDLR, HMGCR | PTGS2 2497/4885MAP4K4 4374/4885CNR1 269/4885 |
“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.