Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 2/20 | 0.32 |
| ▸ | SHBG | P04278 | 1/20 | 0.31 |
| ▸ | ADH1C | P00326 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2301263 | 1.00 | CYP1A2 (0.34) | CYP1A2ADH1ASHBGADH1C | |
| SCHEMBL9306373 | 1.00 | CYP1A2 (0.34) | CYP1A2ADH1ASHBGADH1C | |
| SCHEMBL9507258 | 1.00 | CYP1A2 (0.34) | CYP1A2ADH1ASHBGADH1C | |
| SCHEMBL8767515 | 1.00 | CYP1A2 (0.34) | CYP1A2ADH1ASHBGADH1C | |
| SCHEMBL10896656 | 0.98 | CYP1A2 (0.31) | CYP1A2ADH1AADH1C | |
| SCHEMBL4695004 | 0.93 | — | — | |
| SCHEMBL4551020 | 0.93 | — | — | |
| SCHEMBL11453224 | 0.93 | — | — | |
| Bicarbonate SCHEMBL10356465 | 0.90 | EPHX1 (0.33) | — | |
| SCHEMBL8065378 | 0.87 | — | — |
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-0891331-B1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | VERTEX PHARMA (US) | 2003-10-01 | — | — | EP | disclosed |