Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NCK1 | P16333 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 3/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ITK | Q08881 | 1/20 | 0.31 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5495690 | 0.84 | CYP2A6 (0.36) | CYP2A6ALDH1A1BACE1KCNH2 | |
| SCHEMBL30718705 | 0.73 | PKM (0.44) | CYP2A6CYP1A2ALDH1A1NCK1BACE1 | |
| SCHEMBL27141158 | 0.73 | PKM (0.44) | CYP2A6CYP1A2ALDH1A1NCK1BACE1 | |
| SCHEMBL8404380 | 0.67 | CYP1A2 (0.52) | CYP2A6CYP1A2ALDH1A1NCK1BACE1 | |
| SCHEMBL14568526 | 0.67 | BRAF (0.43) | KCNH2 | |
| SCHEMBL19255198 | 0.66 | CYP1A2 (0.43) | CYP2A6CYP1A2ALDH1A1NCK1BACE1 | |
| SCHEMBL13363088 | 0.65 | CYP1A2 (0.46) | CYP2A6CYP1A2ALDH1A1NCK1BACE1 | |
| SCHEMBL26337518 | 0.65 | OPRM1 (0.44) | CYP1A2ALDH1A1NCK1BACE1MEN1 | |
| SCHEMBL18630402 | 0.64 | CYP1A2 (0.48) | CYP2A6CYP1A2ALDH1A1NCK1BACE1 | |
| SCHEMBL858595 | 0.64 | ALDH1A1 (0.50) | CYP2A6CYP1A2ALDH1A1NCK1BACE1 |
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-1836174-B1 | ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | AMGEN INC (US) | 2013-02-27 | — | — | EP | disclosed |