Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.53 |
| ▸ | RORB | Q92753 | 7/20 | 0.42 |
| ▸ | RORC | P51449 | 3/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31661820 | 0.76 | BCAT2 (0.58) | BCAT2RORBRORCALDH1A1CHEK2 | |
| SCHEMBL31661900 | 0.75 | BCAT2 (0.57) | BCAT2ALDH1A1CHEK2KDM4EGABRA1 | |
| SCHEMBL31661861 | 0.72 | BCAT2 (0.54) | BCAT2MAP4K4CHEK2CDC7CDK2 | |
| SCHEMBL31661826 | 0.72 | BCAT2 (0.54) | BCAT2RORBRORCMAP4K4CHEK2 | |
| SCHEMBL31661869 | 0.71 | BCAT2 (0.53) | BCAT2ALDH1A1CHEK2KDM4ECHEK1 | |
| SCHEMBL31661924 | 0.70 | BCAT2 (0.51) | BCAT2CHEK2CHEK1 | |
| SCHEMBL6667283 | 0.70 | BCAT2 (0.69) | BCAT2ALDH1A1CHEK2CDC7CCNE1 | |
| SCHEMBL6669302 | 0.70 | BCAT2 (0.68) | BCAT2ALDH1A1CHEK2IKBKB | |
| SCHEMBL4445671 | 0.70 | BCAT2 (1.00) | BCAT2RORBALDH1A1MEN1KMT2A | |
| SCHEMBL7472100 | 0.69 | BCAT2 (0.62) | BCAT2RORBRORCKMT2AIKBKB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025151311-A1 | NICOTINAMIDE DERIVATIVES | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2025-07-17 | — | — | WO | disclosed |