Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10974562 | 0.83 | CYP2D6 (0.39) | CYP2D6TSHRCYP2C19CYP1A2PKM | |
| SCHEMBL8026185 | 0.83 | HTR2A (0.43) | CYP2D6TSHRCYP2C19CYP1A2PKM | |
| SCHEMBL18475190 | 0.81 | CYP2D6 (0.41) | CYP2D6TSHRCYP2C19CYP1A2PKM | |
| SCHEMBL8517740 | 0.80 | CYP2D6 (0.38) | CYP2D6TSHRCYP2C19CYP1A2PKM | |
| SCHEMBL10366058 | 0.78 | AKR1B1 (0.40) | CYP2D6TSHRCYP2C19CYP1A2PKM | |
| SCHEMBL28240904 | 0.76 | CYP2D6 (0.39) | CYP2D6TSHRCYP2C19CYP1A2PKM | |
| SCHEMBL28243000 | 0.76 | CYP2D6 (0.42) | CYP2D6TSHRCYP2C19CYP1A2PKM | |
| SCHEMBL1441712 | 0.75 | PKM (0.41) | CYP2D6TSHRCYP2C19CYP1A2PKM | |
| SCHEMBL10735754 | 0.74 | CYP2D6 (0.34) | CYP2D6TSHRCYP2C19CYP1A2PKM | |
| SCHEMBL8036042 | 0.74 | TDP1 (0.38) | SMN1; SMN2MEN1KMT2ALMNAMAOA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000076990-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2000-12-21 | — | — | WO | disclosed |