Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 8/20 | 0.64 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.64 |
| ▸ | PRKACA | P17612 | 2/20 | 0.64 |
| ▸ | PRKX | P51817 | 2/20 | 0.64 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.64 |
| ▸ | GSK3A | P49840 | 1/20 | 0.64 |
| ▸ | GSK3B | P49841 | 1/20 | 0.64 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.64 |
| ▸ | AURKA | O14965 | 1/20 | 0.62 |
| ▸ | MMP13 | P45452 | 3/20 | 0.58 |
| ▸ | GRK5 | P34947 | 1/20 | 0.58 |
| ▸ | APP | P05067 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29258612 | 0.89 | NPC1 (0.57) | ROCK2ROCK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29258321 | 0.88 | AKR1C3 (0.50) | ROCK2ROCK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29258544 | 0.85 | NPC1 (0.57) | ROCK2ROCK1CYP2D6CYP2C9PRKACA | |
| SCHEMBL29258510 | 0.85 | SENP1 (0.55) | ROCK2ROCK1PRKACAPRKXGSK3A | |
| SCHEMBL29258530 | 0.85 | ROCK2 (0.51) | ROCK2ROCK1PRKACAPRKXGSK3A | |
| SCHEMBL1568252 | 0.83 | ROCK2 (0.86) | ROCK2ROCK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7134254 | 0.82 | MMP13 (0.86) | ROCK2ROCK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29258571 | 0.81 | AKR1C3 (0.60) | ROCK2ROCK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29258215 | 0.81 | HDAC1 (0.58) | ROCK2ROCK1HPGDLMNAKDM4E | |
| SCHEMBL29258229 | 0.81 | HDAC1 (0.50) | ROCK2ROCK1CYP3A4PRKACAPRKX |
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 |
|---|---|---|---|---|---|---|---|
| CN-118108664-A | NAMPT agonist and preparation method and application thereof | 中国人民解放军海军军医大学 | 2024-05-31 | — | — | CN | claimed |
| CN-118108664-A | NAMPT agonist and preparation method and application thereof | 中国人民解放军海军军医大学 | 2024-05-31 | — | — | CN | disclosed |