Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | BTK | Q06187 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 5/20 | 0.41 |
| ▸ | CCNC | P24863 | 2/20 | 0.40 |
| ▸ | CDK8 | P49336 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12495840 | 0.78 | BCAT2 (0.62) | BCAT2NPC1RAB9A | |
| SCHEMBL6667283 | 0.76 | BCAT2 (0.69) | BCAT2CCNCCDK8CDC7DBF4 | |
| SCHEMBL6669302 | 0.75 | BCAT2 (0.68) | SIRT3BCAT2NAMPTCYP1A2CYP3A4 | |
| SCHEMBL27711486 | 0.74 | BCAT2 (0.49) | SIRT3BCAT2CYP1A2LIMK1CYP2A6 | |
| SCHEMBL31661830 | 0.73 | MKNK1 (0.54) | BCAT2NAMPTCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL29988790 | 0.72 | TDO2 (0.49) | SIRT3TDP1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL3421743 | 0.72 | TDO2 (0.49) | SIRT3TDP1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL6649854 | 0.72 | HTR2B (0.52) | SIRT3TDP1LCKBTKCYP2C19 | |
| SCHEMBL31661900 | 0.71 | BCAT2 (0.57) | BCAT2CYP1A2CYP3A4CYP2C19LIMK1 | |
| SCHEMBL1373806 | 0.70 | — | — |
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 |