Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15842782 | 0.79 | CYP2A6 (0.67) | CA12CA1CA9KCNA3CYP2A6 | |
| SCHEMBL1627582 | 0.74 | CYP2A6 (0.64) | CA12CA1CA9KCNA3CYP2A6 | |
| SCHEMBL30659721 | 0.73 | CA12 (0.51) | CA12CA1CA9KCNA3CYP2A6 | |
| SCHEMBL14329522 | 0.72 | PTGS2 (0.55) | CA12CA1CA9KCNA3CYP2A6 | |
| SCHEMBL15842325 | 0.72 | CA12 (0.54) | CA12CA1CA9KCNA3CYP2A6 | |
| Acrylic Acid SCHEMBL28431359 | 0.72 | CA12 (0.64) | CA12CA1CA9KCNA3CYP2A6 | |
| SCHEMBL3664937 | 0.72 | MAOA (0.50) | CA12CA9KDM4EALDH1A1HPGD | |
| SCHEMBL24523000 | 0.71 | KCNA3 (0.70) | CA12CA1CA9KCNA3ALOX15 | |
| SCHEMBL14329527 | 0.71 | PTGS2 (0.57) | CA12CA1CA9KCNA3CYP2A6 | |
| SCHEMBL24523066 | 0.71 | ALDH1A1 (0.59) | CA12CA1CA9KCNA3KDM4E |
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-1754709-A1 | Process for preparing vinylphosphates | DSM IP Assets B.V. (NL) | 2007-02-21 | — | — | EP | disclosed |
| EP-1509484-A2 | PROCESS FOR PREPARING VINYLAROMATIC COMPOUNDS | DSM IP Assets B.V. (NL) | 2005-03-02 | — | — | EP | disclosed |
| WO-2003102202-A2 | PROCESS FOR PREPARING VINYLAROMATIC COMPOUNDS | DSM IP ASSETS B.V. (NL) | 2003-12-11 | — | — | WO | disclosed |
| US-6608212-B1 | Palladium catalyzed coupling of a vinylphosphate and aryl-metal halide; preparation of such as 1-(4-(2-(pyrrolidin-n-yl)-ethoxy)phenyl)-6-methoxy-3,4-dihydronaphthalene | PFIZER, INC. | 2003-08-19 | — | — | US | disclosed |