Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30692449 | 1.00 | MAOA (0.43) | MAOAMAOBMMP1LMNACYP2A6 | |
| SCHEMBL2783392 | 0.87 | MMP1 (0.47) | MMP1CA1CA2CA9CYP3A4 | |
| SCHEMBL9277840 | 0.78 | ACHE (0.46) | MMP1LMNACYP2A6MEN1KMT2A | |
| SCHEMBL30692451 | 0.78 | CA1 (0.55) | MMP1MEN1KMT2ACA1CA2 | |
| SCHEMBL9280378 | 0.77 | MMP1 (0.39) | MMP1HPGDMEN1KMT2AMAPT | |
| SCHEMBL29002654 | 0.76 | ESR2 (0.46) | MMP1LMNAHPGDMEN1KMT2A | |
| SCHEMBL20994141 | 0.76 | MMP1 (0.41) | MMP1 | |
| SCHEMBL10891935 | 0.76 | PPARA (0.40) | MAOAMAOBLMNACYP2A6HPGD | |
| SCHEMBL237878 | 0.75 | CA4 (0.43) | MAOAMAOBMMP1LMNACYP1A2 | |
| SCHEMBL28620636 | 0.73 | CYP1A2 (0.48) | MMP1LMNACA1CA2CA9 |
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-113307726-B | Preparation method and application of propyne aryl ether compound | 乐山师范学院 | 2024-02-02 | — | — | CN | disclosed |