Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 9/20 | 0.46 |
| ▸ | CA2 | P00918 | 9/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.43 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | TYK2 | P29597 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28816355 | 0.86 | BCAT2 (0.53) | NPC1RAB9ABCAT2CA1CA2 | |
| SCHEMBL1644002 | 0.86 | ALDH1A1 (0.55) | BCAT2CA1CA2CA9JAK1 | |
| SCHEMBL30752023 | 0.86 | CA1 (0.49) | BCAT2CA1CA2CNR2PABPC1 | |
| SCHEMBL2575446 | 0.86 | CA1 (0.49) | BCAT2CA1CA2CNR2PABPC1 | |
| SCHEMBL27698527 | 0.80 | CA1 (0.51) | BCAT2CA1CA2ADRA1AALDH1A1 | |
| SCHEMBL7710970 | 0.80 | DHODH (0.55) | ALDH1A1 | |
| SCHEMBL7710973 | 0.80 | DHODH (0.55) | ALDH1A1 | |
| SCHEMBL5483549 | 0.79 | L3MBTL1 (0.50) | BCAT2CA1CA2CNR2ADRA1A | |
| SCHEMBL2698248 | 0.78 | LMNA (0.65) | NPC1RAB9ABCAT2CA1CA2 | |
| SCHEMBL27679503 | 0.78 | BCAT2 (0.42) | BCAT2CA1CA2CNR2PABPC1 |
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-6737193-B2 | ACTIVE MATERIALS IN THE POSITIVE ELECTRODES OF BATTERIES. NOVEL METHODS FOR PREPARING THE TETRAKETOPIPERAZINE UNIT-CONTAINING COMPOUNDS INCLUDE: (I) REACTING AN OXALYL HALIDE AND AN OXAMIDE, AND ADDING WATER OR AN AQUEOUS ALKALI | IM&T RESEARCH, INC. | 2004-05-18 | — | — | US | disclosed |
| US-20030148188-A1 | Active materials in the positive electrodes of batteries. Novel methods for preparing the tetraketopiperazine unit-containing compounds include: (i) reacting an oxalyl halide and an oxamide, and adding water or an aqueous alkali | IM&T RESEARCH, INC. | 2003-08-07 | — | — | US | disclosed |