Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21052503 | 0.84 | AHR (0.36) | GAACA1CA2CA9 | |
| SCHEMBL27749404 | 0.84 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL577652 | 0.80 | GAA (0.55) | GAAALDH1A1 | |
| SCHEMBL21546534 | 0.78 | GAA (0.40) | GAACD44CYP3A4TSHR | |
| SCHEMBL588062 | 0.77 | CYP3A4 (0.48) | GAAALDH1A1CYP3A4TSHR | |
| SCHEMBL4647358 | 0.75 | CYP3A4 (0.46) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL12963082 | 0.75 | GAA (0.46) | GAACD44CA12CA1CA2 | |
| SCHEMBL29384228 | 0.74 | AHR (0.32) | ALDH1A1 | |
| SCHEMBL8460064 | 0.74 | IMPDH2 (0.33) | ALDH1A1 | |
| SCHEMBL21356184 | 0.74 | AHR (0.32) | ALDH1A1 |
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-1871748-A1 | (3,4-DIHYDRO-QUINAZOLIN-2-YL)-INDAN-1-YL-AMINES | F. Hoffmann-Roche AG (CH) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006108773-A1 | (3,4-DIHYDRO-QUINAZOLIN-2-YL)-INDAN-1-YL-AMINES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-10-19 | — | — | WO | disclosed |