Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | HPGDS | O60760 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | PRF1 | P14222 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL290307 | 0.86 | CD274 (0.61) | CYP1A2CYP2D6CYP2C19CD274ALDH1A1 | |
| SCHEMBL298546 | 0.82 | MAPK1 (0.56) | CYP1A2ALDH1A1HSD17B10CYP3A4MAPT | |
| SCHEMBL21763579 | 0.79 | ERN1 (0.51) | CYP1A2CYP2D6CYP2C19CD274ALDH1A1 | |
| SCHEMBL3403357 | 0.77 | DRD3 (0.49) | CYP1A2CYP2D6CYP3A4TSHRLMNA | |
| SCHEMBL12675177 | 0.76 | ERN1 (0.65) | CYP1A2CD274ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL23956927 | 0.76 | CD274 (0.52) | CYP1A2CYP2D6CYP2C19CD274ALDH1A1 | |
| SCHEMBL23956924 | 0.75 | TSHR (0.49) | CYP1A2CYP2C19CD274ALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL29217421 | 0.75 | TSHR (0.48) | CYP1A2CYP2C19CD274ALDH1A1HSD17B10 | |
| SCHEMBL289866 | 0.74 | SMN1; SMN2 (0.59) | ALDH1A1MAPTLMNASMN1; SMN2HPGD | |
| SCHEMBL3398394 | 0.74 | KDM4E (0.54) | CYP1A2CYP2D6ALDH1A1HSD17B10CYP3A4 |
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-2427447-A2 | SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION | Pike Pharma GmbH (CH) | 2012-03-14 | — | — | EP | disclosed |