Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 2/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | CACNA1H | O95180 | 4/20 | 0.41 |
| ▸ | FNTA | P49354 | 12/20 | 0.40 |
| ▸ | FNTB | P49356 | 12/20 | 0.40 |
| ▸ | PGGT1B | P53609 | 12/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7220321 | 0.89 | FNTA (0.41) | S1PR3S1PR1CACNA1HFNTAFNTB | |
| SCHEMBL7222226 | 0.88 | FNTA (0.41) | S1PR3S1PR1CACNA1HFNTAFNTB | |
| SCHEMBL7241410 | 0.82 | FNTA (0.42) | S1PR3S1PR1CACNA1HFNTAFNTB | |
| SCHEMBL7673750 | 0.82 | FNTA (0.44) | S1PR3S1PR1FNTAFNTBPGGT1B | |
| SCHEMBL7236823 | 0.81 | FNTA (0.42) | CACNA1HFNTAFNTBPGGT1B | |
| SCHEMBL7220418 | 0.79 | ALDH1A1 (0.40) | S1PR3S1PR1FNTAFNTBPGGT1B | |
| SCHEMBL7222558 | 0.78 | S1PR3 (0.37) | S1PR3S1PR1FNTAFNTBPGGT1B | |
| SCHEMBL7672909 | 0.78 | CYP17A1 (0.48) | FNTAFNTBPGGT1BCYP17A1CYP3A4 | |
| SCHEMBL7222091 | 0.75 | FNTA (0.47) | FNTAFNTBPGGT1BCYP11B1CYP11B2 | |
| SCHEMBL7228124 | 0.75 | CYP11B1 (0.36) | S1PR3S1PR1CACNA1HFNTAFNTB |
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 1 patent. 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 |