Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 4/20 | 0.36 |
| ▸ | FEN1 | P39748 | 4/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.35 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.34 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1968845 | 0.88 | SLC6A4 (0.48) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL20605786 | 0.88 | SLC6A4 (0.48) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL20606457 | 0.88 | SLC6A4 (0.48) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL190820 | 0.86 | SLC6A4 (0.47) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL13778879 | 0.79 | SLC6A2 (0.32) | SLC6A2SLC6A4 | |
| SCHEMBL15867020 | 0.77 | ALDH1A1 (0.47) | TSHRLMNASMN1; SMN2KDM4EKMT2A | |
| SCHEMBL24242503 | 0.76 | NOS2 (0.38) | APLNRSLC6A2SLC6A4SLC6A1SLC6A11 | |
| SCHEMBL12362618 | 0.76 | NOS2 (0.38) | APLNRSLC6A2SLC6A4SLC6A1SLC6A11 | |
| SCHEMBL296911 | 0.75 | SLC6A2 (0.39) | SLC6A2SLC6A4SMYD3TSHRLMNA | |
| SCHEMBL4972048 | 0.75 | SLC6A1 (0.38) | APLNRSLC6A2SLC6A4SLC6A1SLC6A11 |
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-2334662-A1 | PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV | F. Hoffmann-La Roche AG (CH) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010034671-A1 | PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV | F. HOFFMANN-LA ROCHE AG (CH) | 2010-04-01 | — | — | WO | disclosed |