Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 3/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 3/20 | 0.38 |
| ▸ | LCK | P06239 | 2/20 | 0.38 |
| ▸ | CCKBR | P32239 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | CTSB | P07858 | 2/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL6459707 | 0.85 | GRIN2B (0.43) | ALDH1A1GRIN2BTNK2 | |
| SCHEMBL6459705 | 0.85 | GRIN2B (0.43) | ALDH1A1GRIN2BTNK2 | |
| SCHEMBL6618211 | 0.81 | ADRA2A (0.44) | ALDH1A1 | |
| SCHEMBL6867773 | 0.79 | ALDH1A1 (0.54) | ALDH1A1EPHX1CTSLCTSBCTSK | |
| SCHEMBL6630745 | 0.76 | CFD (0.45) | ALDH1A1MEN1KMT2A | |
| SCHEMBL7048334 | 0.76 | GRIN2B (0.40) | GRIN2BTNK2 | |
| SCHEMBL7048333 | 0.76 | GRIN2B (0.40) | GRIN2BTNK2 | |
| Benzyl Carbamate SCHEMBL6930464 | 0.74 | CPB1 (0.37) | JAK3GRIN2BCDC7PIM1GSK3B | |
| SCHEMBL6880526 | 0.74 | MCHR1 (0.40) | ALDH1A1MEN1KMT2AGRIN2B | |
| SCHEMBL6615961 | 0.73 | MCHR1 (0.45) | ALDH1A1MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004087669-A1 | NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF | TAISHO PHARMACEUTICAL CO. LTD. (JP) | 2004-10-14 | — | — | WO | disclosed |