Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 3/20 | 0.37 |
| ▸ | PNMT | P11086 | 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 | |
|---|---|---|---|---|
| SCHEMBL8112257 | 0.84 | NFE2L2 (0.50) | ALDH1A1TAAR1NFE2L2IDO1USP2 | |
| SCHEMBL5199192 | 0.75 | NFKB1 (0.41) | TAAR1NFE2L2IDO1LMNA | |
| SCHEMBL8397406 | 0.72 | TAAR1 (0.45) | ALDH1A1TAAR1MEN1KMT2AL3MBTL1 | |
| SCHEMBL9355230 | 0.72 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2AL3MBTL1MAPT | |
| SCHEMBL1684125 | 0.71 | PNMT (0.41) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL4763524 | 0.71 | TAAR1 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL10928052 | 0.70 | NFE2L2 (0.43) | TAAR1NFE2L2IDO1 | |
| SCHEMBL840522 | 0.70 | CHRM5 (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL11195639 | 0.70 | TAAR1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL28839595 | 0.69 | NFE2L2 (0.58) | TAAR1L3MBTL1NFE2L2IDO1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3539956-A1 | METHOD FOR PRODUCING CHIRAL 8- (3-AMINO-PIPERIDIN-1-YL) -XANTHINES | Boehringer Ingelheim International GmbH (DE) | 2019-09-18 | — | — | EP | disclosed |
| EP-3029040-B1 | METHOD FOR PRODUCING CHIRAL 8-(3-AMINO-PIPERIDIN-1-YL) -XANTHINES | BOEHRINGER INGELHEIM INT (DE) | 2019-04-03 | — | — | EP | disclosed |
| EP-3029040-A1 | METHOD FOR PRODUCING CHIRAL 8- (3-AMINO-PIPERIDIN-1-YL) -XANTHINES | Boehringer Ingelheim International GmbH (DE) | 2016-06-08 | — | — | EP | disclosed |
| EP-2287164-B9 | Process for the manufacture of chiral 8-(3-aminopiperidin-1-yl)-xanthines | BOEHRINGER INGELHEIM INT (DE) | 2014-06-11 | — | — | EP | disclosed |
| EP-2287164-B1 | Process for the manufacture of chiral 8-(3-aminopiperidin-1-yl)-xanthines | BOEHRINGER INGELHEIM INT (DE) | 2014-01-22 | — | — | EP | disclosed |
| EP-2287164-A1 | Process for the manufacture of chiral 8-(3-aminopiperidin-1-yl)-xanthines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-02-23 | — | — | EP | disclosed |