Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 4/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16635250 | 0.81 | PDE10A (0.43) | MAPTLMNA | |
| SCHEMBL977733 | 0.77 | KDM4E (0.49) | MAPTRAB9ASMN1; SMN2NPC1ABL1 | |
| SCHEMBL29416286 | 0.77 | KDM4E (0.49) | MAPTRAB9ASMN1; SMN2NPC1ABL1 | |
| SCHEMBL23753718 | 0.77 | KDM4E (0.54) | SLC6A3SLC6A4MAPTSMN1; SMN2CNR1 | |
| SCHEMBL474122 | 0.76 | KDM4E (0.44) | MAPTRAB9ASMN1; SMN2NPC1ABL1 | |
| SCHEMBL29551416 | 0.76 | KDM4E (0.44) | MAPTRAB9ASMN1; SMN2NPC1ABL1 | |
| SCHEMBL5535848 | 0.76 | SLC6A3 (0.65) | SLC6A3SLC6A4MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL26573424 | 0.76 | SLC6A4 (0.65) | SLC6A3SLC6A4MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL24501111 | 0.75 | POLQ (0.62) | — | |
| SCHEMBL30017462 | 0.75 | POLQ (0.62) | — |
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-2450350-A1 | 3-Pyridinecarboxamide and 2-pyrazinecarboxamide derivatives as HDL-cholesterol raising agents | F. Hoffmann-La Roche AG (CH) | 2012-05-09 | — | — | EP | disclosed |