Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 2/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.31 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.31 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.31 |
| ▸ | ALPG | P10696 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27854889 | 1.00 | TSHR (0.43) | TSHRTRPA1ALDH1A1HTTLMNA | |
| SCHEMBL3968014 | 0.87 | TSHR (0.50) | TSHRTRPA1ALDH1A1HTTLMNA | |
| SCHEMBL21114422 | 0.87 | TSHR (0.50) | TSHRTRPA1ALDH1A1HTTLMNA | |
| SCHEMBL1201168 | 0.82 | TSHR (0.42) | TSHRTRPA1ALDH1A1HTTLMNA | |
| SCHEMBL28792130 | 0.79 | TRPA1 (0.43) | TSHRTRPA1ALDH1A1HTTL3MBTL1 | |
| SCHEMBL1201089 | 0.79 | TRPA1 (0.43) | TSHRTRPA1ALDH1A1HTTL3MBTL1 | |
| SCHEMBL2163397 | 0.78 | TSHR (0.46) | TSHRTRPA1ALDH1A1HTTLMNA | |
| SCHEMBL27854887 | 0.78 | TRPA1 (0.42) | TSHRTRPA1ALDH1A1HTTLMNA | |
| SCHEMBL11075712 | 0.78 | TRPA1 (0.42) | TSHRTRPA1ALDH1A1HTTLMNA | |
| SCHEMBL3685810 | 0.78 | TRPA1 (0.52) | TSHRTRPA1ALDH1A1HTTL3MBTL1 |
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-2114394-B1 | PLATINUM ANALOGS WITH BIS-NITRILE-CONTAINING LIGANDS | BIONUMERIK PHARMACEUTICALS INC (US) | 2012-08-15 | — | — | EP | claimed |
| EP-2114394-A1 | PLATINUM ANALOGS WITH BIS-NITRILE-CONTAINING LIGANDS | BIONUMERIK PHARMACEUTICALS, INC. (US) | 2009-11-11 | — | — | EP | claimed |
| WO-2008100301-A1 | PLATINUM ANALOGS WITH BIS-NITRILE-CONTAINING LIGANDS | BIONUMERIK PHARMACEUTICALS, INC. (US) | 2008-08-21 | — | — | WO | claimed |
| EP-2114394-B1 | PLATINUM ANALOGS WITH BIS-NITRILE-CONTAINING LIGANDS | BIONUMERIK PHARMACEUTICALS INC (US) | 2012-08-15 | — | — | EP | disclosed |
| EP-2114394-A1 | PLATINUM ANALOGS WITH BIS-NITRILE-CONTAINING LIGANDS | BIONUMERIK PHARMACEUTICALS, INC. (US) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008100301-A1 | PLATINUM ANALOGS WITH BIS-NITRILE-CONTAINING LIGANDS | BIONUMERIK PHARMACEUTICALS, INC. (US) | 2008-08-21 | — | — | WO | disclosed |