Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | GPBAR1 | Q8TDU6 | 6/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.42 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL286184 | 1.00 | KMT2A (0.48) | KMT2AGPBAR1POLBNPC1MEN1 | |
| SCHEMBL535778 | 0.90 | KMT2A (0.50) | KMT2APOLBMEN1MAPTMAPK1 | |
| SCHEMBL535779 | 0.90 | KMT2A (0.50) | KMT2APOLBMEN1MAPTMAPK1 | |
| SCHEMBL286375 | 0.87 | CASP3 (0.48) | KMT2AGPBAR1POLBMEN1MAPK1 | |
| SCHEMBL286376 | 0.87 | CASP3 (0.48) | KMT2AGPBAR1POLBMEN1MAPK1 | |
| SCHEMBL535875 | 0.84 | KMT2A (0.43) | KMT2ANPC1MEN1MAPTMAPK1 | |
| SCHEMBL535874 | 0.84 | KMT2A (0.43) | KMT2ANPC1MEN1MAPTMAPK1 | |
| SCHEMBL286313 | 0.79 | KMT2A (0.48) | KMT2AGPBAR1POLBNPC1MEN1 | |
| SCHEMBL286314 | 0.79 | KMT2A (0.48) | KMT2AGPBAR1POLBNPC1MEN1 | |
| SCHEMBL536326 | 0.76 | KDM4E (0.43) | NPC1MAPTMAPK1CYP1A2CYP2C19 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2414354-B1 | Hydroxy-methyl isoxazole derivatives as gaba a modulators | HOFFMANN LA ROCHE (CH) | 2012-12-12 | — | — | EP | disclosed |
| US-8222246-B2 | Substituted isoxazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-07-17 | — | — | US | disclosed |
| US-8163728-B2 | Pyrazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | disclosed |
| EP-2427455-A1 | ISOXAZOLE-PYRAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | disclosed |
| EP-2414354-A1 | Hydroxy-methyl isoxazole derivatives as gaba a modulators | F. Hoffmann-La Roche AG (CH) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010127975-A1 | ISOXAZOLE-PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-11 | — | — | WO | disclosed |
| US-20100286115-A1 | PYRAZOLES | ROCHE PALO ALTO LLC | 2010-11-11 | — | — | US | disclosed |
| WO-2010112475-A1 | HYDROXY-METHYL ISOXAZOLE DERIVATIVES AS GABA A MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-07 | — | — | WO | disclosed |
| US-20100256127-A1 | SUBSTITUTED ISOXAZOLES | ROCHE PALO ALTO LLC | 2010-10-07 | — | — | 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-20100286115-A1 | PYRAZOLES | GABRA5, GABRA1, GABRA3 | KMT2A 3379/4885GPBAR1 109/4885POLB 3953/4885 |
| US-20100256127-A1 | SUBSTITUTED ISOXAZOLES | GABRA5, GABRA1, GABRA3 | KMT2A 2613/4885GPBAR1 129/4885POLB 4593/4885 |
“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.