Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | KMO | O15229 | 2/20 | 0.35 |
| ▸ | RORC | P51449 | 2/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | RORA | P35398 | 1/20 | 0.33 |
| ▸ | RORB | Q92753 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15715813 | 0.85 | S1PR1 (0.40) | PTGS2KMODHFRPTGS1ABL1 | |
| SCHEMBL442683 | 0.85 | PTGDR2 (0.44) | PTGS2ALOX5APFEN1CNR2 | |
| SCHEMBL27906391 | 0.84 | ALOX5AP (0.35) | PTGS2RORCAAK1GRM2ALOX5AP | |
| SCHEMBL412169 | 0.82 | KMO (0.52) | DGAT1KMOCNR2 | |
| SCHEMBL443355 | 0.81 | APP (0.37) | DGAT1PTGS2KMORORCGRM2 | |
| SCHEMBL15350441 | 0.77 | ALDH1A1 (0.40) | AAK1CYP1A2CYP3A4CNR2 | |
| SCHEMBL411991 | 0.73 | KMO (0.42) | DGAT1KMOCNR2 | |
| SCHEMBL411996 | 0.71 | KMO (0.41) | DGAT1KMOAAK1GRM2SCN9A | |
| SCHEMBL410973 | 0.71 | MEN1 (0.44) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9978011 | 0.69 | PTGDR2 (0.46) | PTGS2GRM2SCN9ACNR2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2613785-B1 | HETEROARYLMETHYL AMIDES | HOFFMANN LA ROCHE (CH) | 2015-07-29 | — | — | EP | disclosed |
| EP-2613785-B1 | HETEROARYLMETHYL AMIDES | HOFFMANN LA ROCHE (CH) | 2015-07-29 | — | — | EP | disclosed |
| US-9090599-B2 | Heteroarylmethyl amides | HOFFMANN-LA ROCHE INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-9090599-B2 | Heteroarylmethyl amides | HOFFMANN-LA ROCHE INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-20140194436-A1 | HETEROARYLMETHYL AMIDES | HOFFMANN-LA ROCHE INC. (US) | 2014-07-10 | — | — | US | disclosed |
| US-20140194436-A1 | HETEROARYLMETHYL AMIDES | HOFFMANN-LA ROCHE INC. (US) | 2014-07-10 | — | — | US | disclosed |
| US-8729105-B2 | Heteroarylmethyl amides | HOFFMANN LA-ROCHE INC. (US) | 2014-05-20 | — | — | US | disclosed |
| EP-2613785-A1 | HETEROARYLMETHYL AMIDES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-07-17 | — | — | EP | disclosed |
| US-20120065212-A1 | HETEROARYLMETHYL AMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-03-15 | — | — | US | disclosed |
| WO-2012032018-A1 | HETEROARYLMETHYL AMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-03-15 | — | — | WO | disclosed |
| WO-2012032018-A1 | HETEROARYLMETHYL AMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-03-15 | — | — | 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 (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-20140194436-A1 | HETEROARYLMETHYL AMIDES | APOB, LDLR, HMGCR | DGAT1 411/4885PTGS2 2497/4885KMO 2423/4885 |
| US-20120065212-A1 | HETEROARYLMETHYL AMIDES | APOB, LDLR, HMGCR | DGAT1 411/4885PTGS2 2497/4885KMO 2423/4885 |
“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.