Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GRM7 | Q14831 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29001923 | 1.00 | RAB9A (0.46) | RAB9ACYP3A4CYP2C19HPGDTSHR | |
| SCHEMBL8621292 | 0.77 | ALDH1A1 (0.44) | RAB9ACYP3A4HPGDTSHRKMT2A | |
| SCHEMBL29001941 | 0.77 | ALDH1A1 (0.44) | RAB9ACYP3A4HPGDTSHRKMT2A | |
| SCHEMBL8621288 | 0.77 | ALDH1A1 (0.44) | RAB9ACYP3A4HPGDTSHRKMT2A | |
| SCHEMBL25362258 | 0.76 | PKM (0.50) | TSHRNPSR1MEN1KMT2A | |
| SCHEMBL25362256 | 0.76 | PKM (0.50) | TSHRNPSR1MEN1KMT2A | |
| SCHEMBL6437249 | 0.74 | POLB (0.62) | TSHRCCR1GRM7ALDH1A1 | |
| SCHEMBL27744044 | 0.72 | KMT2A (0.53) | CYP3A4CYP2C19HPGDTSHRMEN1 | |
| SCHEMBL30529599 | 0.72 | KMT2A (0.53) | CYP3A4CYP2C19HPGDTSHRMEN1 | |
| SCHEMBL25464184 | 0.71 | GRM7 (0.73) | RAB9ACYP3A4CYP2C19HPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-115916207-A | Five-membered and six-membered heterocyclic compounds and application thereof as protein receptor kinase inhibitors | 轶诺(浙江)药业有限公司 | 2023-04-04 | — | — | CN | disclosed |