Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | PNMT | P11086 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | ACP3 | P15309 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29976363 | 0.89 | ADRB2 (0.48) | CYP2D6NFKB1CYP3A4LMNAALDH1A1 | |
| SCHEMBL230382 | 0.89 | ADRB2 (0.48) | CYP2D6NFKB1CYP3A4LMNAALDH1A1 | |
| SCHEMBL477355 | 0.83 | IDO1 (0.54) | CYP2D6NFKB1CYP1A2CYP3A4PNMT | |
| SCHEMBL19856483 | 0.79 | CYP1A2 (0.56) | CYP2D6NFKB1CYP1A2CYP3A4PNMT | |
| SCHEMBL4940577 | 0.77 | CYP1A2 (0.54) | CYP2D6NFKB1CYP1A2CYP3A4PNMT | |
| SCHEMBL11606505 | 0.76 | TSHR (0.50) | CYP2D6NFKB1CYP3A4LMNAALDH1A1 | |
| SCHEMBL477580 | 0.76 | ACP3 (0.53) | CYP2D6NFKB1CYP3A4LMNAALDH1A1 | |
| SCHEMBL29609159 | 0.76 | ACP3 (0.53) | CYP2D6NFKB1CYP3A4LMNAALDH1A1 | |
| SCHEMBL477602 | 0.76 | ACP3 (0.53) | CYP2D6NFKB1CYP3A4LMNAALDH1A1 | |
| SCHEMBL7546175 | 0.76 | CYP1A2 (0.63) | CYP2D6NFKB1CYP1A2CYP3A4PNMT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1620395-A1 | AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS | VERNALIS RESEARCH LIMITED (GB) | 2006-02-01 | — | — | EP | disclosed |
| EP-1618105-A1 | AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS | VERNALIS RESEARCH LIMITED (GB) | 2006-01-25 | — | — | EP | disclosed |
| WO-2004096794-A1 | AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDRS | VERNALIS RESEARCH LIMITED (GB) | 2004-11-11 | — | — | WO | disclosed |
| WO-2004096763-A1 | AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS | VERNALIS RESEARCH LIMITED (GB) | 2004-11-11 | — | — | WO | disclosed |