Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.57 |
| ▸ | TP53 | P04637 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6345643 | 0.86 | MAPT (0.64) | MAPTALDH1A1LMNASMN1; SMN2TP53 | |
| SCHEMBL31344383 | 0.85 | SMN1; SMN2 (0.55) | MAPTALDH1A1LMNASMN1; SMN2TP53 | |
| SCHEMBL27611956 | 0.84 | MAPT (0.72) | MAPTALDH1A1LMNASMN1; SMN2TP53 | |
| SCHEMBL8569299 | 0.83 | MAPT (0.67) | MAPTALDH1A1LMNASMN1; SMN2TP53 | |
| SCHEMBL6350981 | 0.81 | PDK1 (0.69) | MAPTALDH1A1LMNA | |
| SCHEMBL7072159 | 0.80 | MAPT (0.67) | MAPTALDH1A1LMNASMN1; SMN2TP53 | |
| SCHEMBL11827090 | 0.80 | MAPT (0.72) | MAPTALDH1A1LMNASMN1; SMN2TP53 | |
| SCHEMBL31000396 | 0.80 | MAPT (0.72) | MAPTALDH1A1LMNASMN1; SMN2TP53 | |
| SCHEMBL5740163 | 0.79 | TACR1 (0.59) | MAPTALDH1A1LMNASMN1; SMN2TP53 | |
| SCHEMBL11571840 | 0.78 | MAPT (0.86) | MAPTALDH1A1LMNASMN1; SMN2TP53 |
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-109790114-B | Novel chiral ligand, metal chelate, various unnatural amino acids and synthesis method of maraviroc and key intermediate thereof | 中国科学院上海药物研究所 | 2025-03-07 | — | — | CN | disclosed |