Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 8/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 5/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | TGM2 | P21980 | 1/20 | 0.35 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL228447 | 1.00 | BACE1 (0.41) | BACE1MCHR1NR1H4FFAR1FFAR4 | |
| SCHEMBL228448 | 1.00 | BACE1 (0.41) | BACE1MCHR1NR1H4FFAR1FFAR4 | |
| Hydrochloric Acid SCHEMBL1943757 | 0.99 | BACE1 (0.41) | BACE1MCHR1NR1H4FFAR1FFAR4 | |
| Hydrochloric Acid SCHEMBL1943759 | 0.99 | BACE1 (0.41) | BACE1MCHR1NR1H4FFAR1FFAR4 | |
| SCHEMBL224596 | 0.93 | BACE1 (0.41) | BACE1NR1H4FFAR1FFAR4PPARG | |
| SCHEMBL224595 | 0.93 | BACE1 (0.41) | BACE1NR1H4FFAR1FFAR4PPARG | |
| SCHEMBL228645 | 0.92 | BACE1 (0.38) | BACE1NR1H4FFAR1FFAR4PPARG | |
| SCHEMBL228644 | 0.92 | BACE1 (0.38) | BACE1NR1H4FFAR1FFAR4PPARG | |
| SCHEMBL225215 | 0.92 | BACE1 (0.39) | BACE1NR1H4FFAR1FFAR4PPARG | |
| SCHEMBL225379 | 0.92 | BACE1 (0.43) | BACE1FFAR1HDAC3HDAC1HDAC2 |
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-2007057399-A2 | TREATMENT OF CANCER WITH INDOLE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-05-24 | — | — | WO | disclosed |