Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | IKBKB | O14920 | 1/20 | 0.56 |
| ▸ | MKNK1 | Q9BUB5 | 5/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 5/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | F7 | P08709 | 1/20 | 0.45 |
| ▸ | F3 | P13726 | 1/20 | 0.45 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.45 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.45 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.45 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.45 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30090095 | 1.00 | ALDH1A1 (0.69) | ALDH1A1IKBKBMKNK1MKNK2HDAC1 | |
| SCHEMBL27790001 | 0.88 | ALDH1A1 (0.51) | ALDH1A1IKBKBMKNK1MKNK2HDAC1 | |
| SCHEMBL12571348 | 0.86 | ALDH1A1 (0.54) | ALDH1A1IKBKBMKNK1MKNK2HDAC1 | |
| SCHEMBL893099 | 0.82 | ALDH1A1 (1.00) | ALDH1A1IKBKBHDAC1HDAC8HDAC6 | |
| SCHEMBL27721487 | 0.81 | ALDH1A1 (0.73) | ALDH1A1HDAC1HDAC8HDAC6PDE4B | |
| SCHEMBL29701119 | 0.80 | ALDH1A1 (0.62) | ALDH1A1HDAC1HDAC8HDAC6PDE4B | |
| SCHEMBL17725121 | 0.80 | ALDH1A1 (0.47) | ALDH1A1IKBKBHDAC1HDAC8HDAC6 | |
| SCHEMBL12571350 | 0.78 | CDC7 (0.49) | ALDH1A1CYP1A2CYP3A4LMNACYP2C19 | |
| SCHEMBL18207854 | 0.78 | ALDH1A1 (0.59) | ALDH1A1HDAC1HDAC8HDAC6PDE4B | |
| SCHEMBL12800727 | 0.76 | IRAK4 (0.71) | — |
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 |