Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4149059 | 0.83 | CYP1A2 (0.34) | CYP1A2CYP2A6 | |
| SCHEMBL4805089 | 0.80 | TDP1 (0.34) | ALDH1A1 | |
| SCHEMBL6062513 | 0.80 | ALDH1A1 (0.32) | CYP2A6ALDH1A1 | |
| SCHEMBL8015806 | 0.79 | CYP1A2 (0.34) | CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL4007586 | 0.76 | ALDH1A1 (0.38) | CYP2A6ALDH1A1 | |
| SCHEMBL5180094 | 0.75 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL16428511 | 0.72 | ALDH1A1 (0.41) | CYP1A2ALDH1A1 | |
| SCHEMBL8124086 | 0.69 | KIF11 (0.37) | — | |
| SCHEMBL27549604 | 0.65 | CYP1A2 (0.37) | CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL29809911 | 0.62 | CYP1A2 (0.34) | CYP1A2CYP2A6ALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2006501194-A | — | — | 2006-01-12 | — | — | JP | claimed |
| EP-1525190-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-04-27 | — | — | EP | claimed |
| WO-2004007463-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2004-01-22 | — | — | WO | claimed |
| EP-1781617-A4 | ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION | JANSSEN PHARMACEUTICA NV (BE) | 2009-06-24 | — | — | EP | disclosed |
| EP-1781617-A2 | ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-09 | — | — | EP | disclosed |
| EP-1641762-A2 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-04-05 | — | — | EP | disclosed |
| WO-2006004742-A2 | α, β-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION | JANSSEN PHARAMCEUTICA N.V. (BE) | 2006-01-12 | — | — | WO | disclosed |
| EP-1525190-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-04-27 | — | — | EP | disclosed |
| WO-2005005393-A2 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-01-20 | — | — | WO | disclosed |
| WO-2004007463-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2004-01-22 | — | — | WO | disclosed |