Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 6/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17124943 | 0.85 | HPGD (0.49) | ALDH1A1SMN1; SMN2LMNAHTTTDP1 | |
| SCHEMBL554961 | 0.84 | HPGD (0.48) | ALDH1A1SMN1; SMN2LMNAHTTTDP1 | |
| SCHEMBL16392270 | 0.84 | HPGD (0.48) | ALDH1A1SMN1; SMN2LMNAHTTTDP1 | |
| SCHEMBL497538 | 0.84 | KDM4E (0.62) | ALDH1A1SMN1; SMN2LMNAHTTTDP1 | |
| SCHEMBL8266888 | 0.81 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2LMNAHTTTDP1 | |
| SCHEMBL5718831 | 0.77 | DPP4 (0.71) | ALDH1A1SMN1; SMN2MAPK1POLB | |
| SCHEMBL15840964 | 0.76 | GAA (0.57) | ALDH1A1SMN1; SMN2LMNAHTTTDP1 | |
| SCHEMBL19976357 | 0.76 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2LMNAHTTTDP1 | |
| SCHEMBL29801249 | 0.74 | MAPK1 (0.47) | ALDH1A1SMN1; SMN2LMNAHTTTDP1 | |
| SCHEMBL29801555 | 0.74 | MAPK1 (0.47) | ALDH1A1LMNAHTTHPGDCYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2540724-A1 | Hydrochlorides and hydrates of 1-[(3-cyano-pyridin-2-yl) methyl]-3-methyl-7-(2-butin-1-yl)-8-(3-amino-piperidin-1-yl)-xanthi, their manufacture and use of same as medicine | Boehringer Ingelheim International GmbH (DE) | 2013-01-02 | — | — | EP | disclosed |