Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.59 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.54 |
| ▸ | MEF2D | Q14814 | 3/20 | 0.54 |
| ▸ | DHODH | Q02127 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.44 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.44 |
| ▸ | SLC6A19 | Q695T7 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL44581 | 1.00 | PTGS2 (0.59) | PTGS2PTGS1HDAC4MEF2DDHODH | |
| SCHEMBL17083115 | 0.86 | KDM4E (0.62) | PTGS2PTGS1HDAC4MEF2DDHODH | |
| SCHEMBL28363349 | 0.86 | KDM4E (0.62) | PTGS2PTGS1HDAC4MEF2DDHODH | |
| SCHEMBL15026335 | 0.85 | NPSR1 (0.49) | PTGS2PTGS1HDAC4MEF2DKDM4E | |
| SCHEMBL19313214 | 0.85 | NPSR1 (0.49) | PTGS2PTGS1HDAC4MEF2DKDM4E | |
| SCHEMBL27676665 | 0.85 | NPSR1 (0.49) | PTGS2PTGS1HDAC4MEF2DKDM4E | |
| SCHEMBL27832673 | 0.85 | GLA (0.56) | PTGS2PTGS1HDAC4MEF2DDHODH | |
| Ethylbenzene SCHEMBL27898812 | 0.85 | PTGS2 (0.61) | PTGS2PTGS1HDAC4KDM4EALDH1A1 | |
| SCHEMBL28089990 | 0.84 | HDAC4 (0.58) | PTGS2PTGS1HDAC4MEF2DKDM4E | |
| SCHEMBL28089992 | 0.84 | HDAC4 (0.58) | PTGS2PTGS1HDAC4MEF2DKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011157670-A2 | NOVEL PROCESS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-22 | — | — | WO | disclosed |
| WO-2011157670-A2 | NOVEL PROCESS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-22 | — | — | WO | disclosed |
| US-20110313196-A1 | NOVEL PROCESS | HOFFMANN-LA ROCHE, INC. | 2011-12-22 | — | — | US | disclosed |
| US-20110313196-A1 | NOVEL PROCESS | HOFFMANN-LA ROCHE, INC. | 2011-12-22 | — | — | US | disclosed |
| US-20110313196-A1 | NOVEL PROCESS | HOFFMANN-LA ROCHE, INC. | 2011-12-22 | — | — | 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-20110313196-A1 | NOVEL PROCESS | CYP3A5, CYP3A4, GBA1 | PTGS2 1138/4885PTGS1 1599/4885HDAC4 134/4885 |
“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.