Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | PTGIR | P43119 | 3/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13975689 | 0.86 | TDP1 (0.39) | TDP1PTGIREPHX1ALDH1A1CYP3A4 | |
| SCHEMBL13976142 | 0.85 | ALDH1A1 (0.46) | TDP1PTGIRALDH1A1NPC1RAB9A | |
| SCHEMBL13367965 | 0.81 | EPHX1 (0.48) | TDP1PTGIREPHX1ALDH1A1LMNA | |
| SCHEMBL8392106 | 0.81 | TDP1 (0.48) | TDP1EPHX1ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL13387503 | 0.81 | TDP1 (0.48) | TDP1EPHX1ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL11509871 | 0.79 | ACHE (0.47) | TDP1EPHX1ALDH1A1CYP3A4CA12 | |
| SCHEMBL206033 | 0.79 | PTGIR (0.45) | TDP1PTGIRALDH1A1LMNA | |
| SCHEMBL12223164 | 0.78 | MEN1 (0.50) | EPHX1ALDH1A1 | |
| SCHEMBL7904682 | 0.77 | TDP1 (0.54) | TDP1EPHX1ALDH1A1CYP3A4CA12 | |
| SCHEMBL8290413 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1931661-A1 | ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007039389-A1 | ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-04-12 | — | — | WO | disclosed |