Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | MAP2K2 | P36507 | 2/20 | 0.36 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.36 |
| ▸ | TYMS | P04818 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | RHEB | Q15382 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.33 |
| ▸ | G6PD | P11413 | 1/20 | 0.33 |
| ▸ | CCR6 | P51684 | 1/20 | 0.33 |
| ▸ | HKDC1 | Q2TB90 | 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 | |
|---|---|---|---|---|
| SCHEMBL9360265 | 0.73 | CYP2A6 (0.48) | CYP2A6CYP1A2HAO1MAP2K2MAP2K1 | |
| SCHEMBL30548745 | 0.72 | MAP2K2 (0.48) | CYP2A6CYP1A2HAO1MAP2K2MAP2K1 | |
| SCHEMBL761802 | 0.70 | LMNA (0.57) | CYP2A6CYP1A2HAO1MAP2K2MAP2K1 | |
| SCHEMBL30832956 | 0.70 | LMNA (0.57) | CYP2A6CYP1A2HAO1MAP2K2MAP2K1 | |
| SCHEMBL29937325 | 0.65 | CYP2A6 (1.00) | CYP2A6CYP1A2 | |
| SCHEMBL18087081 | 0.65 | CYP2A6 (1.00) | CYP2A6CYP1A2 | |
| SCHEMBL29420986 | 0.65 | CYP2A6 (1.00) | CYP2A6CYP1A2 | |
| SCHEMBL935337 | 0.65 | CYP2A6 (1.00) | CYP2A6CYP1A2 | |
| SCHEMBL23783712 | 0.65 | LMNA (0.49) | HAO1MAP2K2MAP2K1TYMSEGFR | |
| SCHEMBL9361125 | 0.65 | CYP2A6 (0.56) | CYP2A6HAO1MAP2K2MAP2K1TYMS |
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 |
|---|---|---|---|---|---|---|---|
| US-5208259-A | Lipoxygenase enzyme inhibitors | IMPERIAL CHEMICAL INDUSTRIES (GB) | 1993-05-04 | — | — | US | disclosed |
| EP-0409413-A2 | Diaryl ether heterocycles | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-23 | — | — | EP | disclosed |