Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.57 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 2/20 | 0.37 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
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 | 0.83 | BCAT2 (0.58) | BCAT2TGFBR1CHEK2MKNK1MKNK2 | |
| SCHEMBL2231308 | 0.80 | BCAT2 (0.69) | BCAT2PTGS2PLA2G10IKBKBTSHR | |
| SCHEMBL31661869 | 0.78 | BCAT2 (0.53) | BCAT2CHEK2KDM4EALDH1A1POLB | |
| SCHEMBL31661924 | 0.77 | BCAT2 (0.51) | BCAT2TGFBR1PTGS2CHEK2CHEK1 | |
| SCHEMBL6669302 | 0.76 | BCAT2 (0.68) | BCAT2CHEK2MKNK1MKNK2IKBKB | |
| SCHEMBL31661908 | 0.75 | BCAT2 (0.53) | BCAT2CHEK2IKBKBKDM4EALDH1A1 | |
| SCHEMBL28130086 | 0.74 | BCAT2 (0.65) | BCAT2PTGS2CHEK2IKBKBLIMK1 | |
| SCHEMBL7530816 | 0.74 | BCAT2 (0.47) | BCAT2TGFBR1PLA2G10IKBKBLIMK1 | |
| SCHEMBL31661830 | 0.74 | MKNK1 (0.54) | BCAT2MKNK1MKNK2PLA2G10IKBKB | |
| SCHEMBL6667283 | 0.73 | BCAT2 (0.69) | BCAT2CHEK2IKBKBHSD17B10ALDH1A1 |
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 |