Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 4/20 | 0.33 |
| ▸ | FNTA | P49354 | 5/20 | 0.32 |
| ▸ | FNTB | P49356 | 5/20 | 0.32 |
| ▸ | PGGT1B | P53609 | 5/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | TRPV4 | Q9HBA0 | 5/20 | 0.32 |
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 SCHEMBL7758000 | 0.96 | PKM (0.33) | PKMALDH1A1LMNATSHRKMT2A | |
| SCHEMBL7701717 | 0.80 | FNTB (0.39) | FNTAFNTBPGGT1B | |
| SCHEMBL7694904 | 0.80 | FNTB (0.39) | FNTAFNTBPGGT1B | |
| SCHEMBL7589567 | 0.80 | FNTB (0.39) | FNTAFNTBPGGT1B | |
| Hydrochloric Acid SCHEMBL7757997 | 0.78 | FNTA (0.30) | PKMFNTAFNTBPGGT1B | |
| SCHEMBL7736917 | 0.76 | FNTA (0.37) | FNTAFNTBPGGT1B | |
| SCHEMBL7582554 | 0.74 | FNTB (0.34) | FNTAFNTBPGGT1B | |
| SCHEMBL7700542 | 0.72 | POLB (0.43) | ALDH1A1LMNATSHRKMT2AFNTA | |
| SCHEMBL6003297 | 0.72 | POLB (0.43) | ALDH1A1LMNATSHRKMT2AFNTA | |
| SCHEMBL7228470 | 0.70 | TRPV4 (0.35) | KMT2AFNTAFNTBPGGT1BTRPV4 |
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 |