Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | HTT | P42858 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22777929 | 0.89 | GPR35 (0.49) | KMT2AHTTALDH1A1GPR35MAPT | |
| SCHEMBL29653719 | 0.89 | GPR35 (0.49) | KMT2AHTTALDH1A1GPR35MAPT | |
| SCHEMBL19100782 | 0.89 | ALDH1A1 (0.50) | KMT2AHTTALDH1A1GPR35MAPT | |
| SCHEMBL8484548 | 0.89 | GPR35 (0.49) | KMT2AHTTALDH1A1GPR35MAPT | |
| SCHEMBL8487907 | 0.89 | GPR35 (0.49) | KMT2AHTTALDH1A1GPR35MAPT | |
| SCHEMBL19100781 | 0.89 | ALDH1A1 (0.50) | KMT2AHTTALDH1A1GPR35MAPT | |
| SCHEMBL1466071 | 0.85 | KMT2A (0.48) | KMT2AHTTALDH1A1GPR35MAPT | |
| SCHEMBL1466074 | 0.85 | KMT2A (0.48) | KMT2AHTTALDH1A1GPR35MAPT | |
| SCHEMBL1466073 | 0.85 | KMT2A (0.48) | KMT2AHTTALDH1A1GPR35MAPT | |
| SCHEMBL8488539 | 0.84 | MAPT (0.46) | KMT2AHTTALDH1A1GPR35MAPT |
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-5969155-A | Conversion of trinitrotoluene into high value compounds | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1999-10-19 | — | — | US | disclosed |