Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | GPR183 | P32249 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.55 |
| ▸ | PKLR | P30613 | 1/20 | 0.55 |
| ▸ | TGM2 | P21980 | 9/20 | 0.53 |
| ▸ | F13A1 | P00488 | 6/20 | 0.53 |
| ▸ | TGM1 | P22735 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5424584 | 0.87 | PKLR (0.56) | PKMPKLRTGM2F13A1TGM1 | |
| SCHEMBL3645073 | 0.86 | KMT2A (0.60) | ALDH1A1LMNATGFBR1HTTMAPT | |
| SCHEMBL7737635 | 0.85 | TGM2 (0.55) | PKMTGFBR1TGM2F13A1TGM1 | |
| SCHEMBL14696050 | 0.85 | GAA (0.55) | ALDH1A1LMNATSHRTGM2F13A1 | |
| SCHEMBL18153290 | 0.85 | PKM (0.66) | PKMALDH1A1PKLRTGM2F13A1 | |
| SCHEMBL1181678 | 0.84 | MEN1 (0.58) | PKMALDH1A1GPR183TGM2F13A1 | |
| SCHEMBL2378015 | 0.84 | TGM2 (0.54) | GPR183TGM2F13A1TGM1GPR119 | |
| SCHEMBL2252120 | 0.83 | TGM2 (0.63) | ALDH1A1LMNATGM2F13A1TGM1 | |
| SCHEMBL3644720 | 0.83 | MAPT (0.62) | ALDH1A1TGM2F13A1TGM1MAPT | |
| SCHEMBL4002690 | 0.83 | TGM2 (0.53) | TGFBR1TGM2F13A1TGM1GPR119 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6413964-B1 | 14-AMINO-14-(1-METHYL-1H-IMIDAZOL-5-YL)-8-OXA-2-THIA-1,18 -DIAZATETRACYCLO(16.2.2.1(3,7).1(9,13))TETRACOSA-3(24),4,6, 9(23),10,12-HEXAENE-10-CARBONITRILE 2,2-DIOXIDE, FOR EXAMPLE; USE IN RADIOTHERAPY, CHEMOTHERAPY AS SENSITIZER | MERCK & CO., INC. | 2002-07-02 | — | — | US | disclosed |
| WO-2001051125-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2001-07-19 | — | — | WO | disclosed |