Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 2/20 | 0.30 |
| ▸ | F2 | P00734 | 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 | |
|---|---|---|---|---|
| SCHEMBL4068170 | 0.80 | TSHR (0.38) | TSHRTRPA1MAP2K1SMN1; SMN2ALDH1A1 | |
| SCHEMBL23628841 | 0.80 | TSHR (0.38) | TSHRTRPA1MAP2K1SMN1; SMN2ALDH1A1 | |
| SCHEMBL776296 | 0.76 | CYP2C19 (0.36) | TSHRSMN1; SMN2KDM4ECYP3A4MAPT | |
| SCHEMBL776368 | 0.76 | CYP2C19 (0.36) | TSHRSMN1; SMN2KDM4ECYP3A4MAPT | |
| SCHEMBL776369 | 0.72 | CYP2C19 (0.34) | TSHRSMN1; SMN2KDM4ECYP3A4MAPT | |
| SCHEMBL7206079 | 0.72 | LMNA (0.35) | TSHRSMN1; SMN2KDM4ECYP3A4MAPT | |
| SCHEMBL9112613 | 0.71 | KDM4E (0.33) | TSHRSMN1; SMN2KDM4ECYP3A4MAPT | |
| SCHEMBL2936982 | 0.68 | TRPA1 (0.41) | TSHRTRPA1KDM4EMAPTALDH1A1 | |
| SCHEMBL19646056 | 0.68 | TSHR (0.52) | TSHRTRPA1KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL1052816 | 0.68 | TSHR (0.46) | TSHRTRPA1MAP2K1SMN1; SMN2KDM4E |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1487896-A1 | METHOD FOR ACTIVATING A COMPOSITION COMPRISING VINYLBENZYL THIOCYANATE AND/OR VINYLBENZYL SELENOCYANATE | ARC Seibersdorf research GmbH (AT) | 2004-12-22 | — | — | EP | claimed |
| WO-2003082946-A1 | METHOD FOR ACTIVATING A COMPOSITION COMPRISING VINYLBENZYL THIOCYANATE AND/OR VINYLBENZYL SELENOCYANATE | ARC SEIBERSDORF RESEARCH GMBH (AT) | 2003-10-09 | — | — | WO | claimed |
| EP-1487896-A1 | METHOD FOR ACTIVATING A COMPOSITION COMPRISING VINYLBENZYL THIOCYANATE AND/OR VINYLBENZYL SELENOCYANATE | ARC Seibersdorf research GmbH (AT) | 2004-12-22 | — | — | EP | disclosed |
| EP-1487896-A1 | METHOD FOR ACTIVATING A COMPOSITION COMPRISING VINYLBENZYL THIOCYANATE AND/OR VINYLBENZYL SELENOCYANATE | ARC Seibersdorf research GmbH (AT) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003082946-A1 | METHOD FOR ACTIVATING A COMPOSITION COMPRISING VINYLBENZYL THIOCYANATE AND/OR VINYLBENZYL SELENOCYANATE | ARC SEIBERSDORF RESEARCH GMBH (AT) | 2003-10-09 | — | — | WO | disclosed |
| WO-2003082946-A1 | METHOD FOR ACTIVATING A COMPOSITION COMPRISING VINYLBENZYL THIOCYANATE AND/OR VINYLBENZYL SELENOCYANATE | ARC SEIBERSDORF RESEARCH GMBH (AT) | 2003-10-09 | — | — | WO | disclosed |