Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.63 |
| ▸ | LMNA | P02545 | 7/20 | 0.63 |
| ▸ | MAPT | P10636 | 4/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23887626 | 1.00 | ALDH1A1 (0.63) | ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2 | |
| SCHEMBL30114934 | 0.89 | ALDH1A1 (0.60) | ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2 | |
| SCHEMBL23887582 | 0.89 | ALDH1A1 (0.60) | ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2 | |
| SCHEMBL1814622 | 0.89 | ALDH1A1 (0.65) | ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2 | |
| SCHEMBL30310805 | 0.89 | ALDH1A1 (0.65) | ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2 | |
| SCHEMBL16824869 | 0.88 | ALDH1A1 (0.64) | ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2 | |
| SCHEMBL31121072 | 0.88 | ALDH1A1 (0.64) | ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2 | |
| SCHEMBL16825024 | 0.88 | ALDH1A1 (0.64) | ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2 | |
| SCHEMBL16824851 | 0.87 | ALDH1A1 (0.63) | ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2 | |
| SCHEMBL25401736 | 0.86 | ALDH1A1 (0.59) | ALDH1A1LMNAMAPTSMN1; SMN2TDP1 |
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-115443269-A | Substituted pyrimidines and methods of use | 施万生物制药研发IP有限责任公司 | 2022-12-06 | — | — | CN | disclosed |