Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | CETP | P11597 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL7573294 | 0.81 | TSHR (0.54) | ALDH1A1TSHRHSD17B10SMN1; SMN2L3MBTL1 | |
| Decane SCHEMBL9620442 | 0.78 | ESR2 (0.53) | ALDH1A1TSHRHSD17B10L3MBTL1HPGD | |
| SCHEMBL27865343 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TSHRLMNAMEN1KMT2A | |
| Octane SCHEMBL9620215 | 0.78 | ESR2 (0.53) | ALDH1A1TSHRHSD17B10L3MBTL1HPGD | |
| Decanol SCHEMBL27731676 | 0.77 | LMNA (0.62) | ALDH1A1TSHRLMNAHSD17B10MEN1 | |
| Nonanol SCHEMBL29217536 | 0.77 | LMNA (0.62) | ALDH1A1TSHRLMNAHSD17B10MEN1 | |
| Naphthalene SCHEMBL15537489 | 0.77 | LMNA (0.62) | ALDH1A1TSHRLMNAHSD17B10MEN1 | |
| SCHEMBL10798170 | 0.77 | CYP3A4 (0.63) | ALDH1A1TSHRLMNAHSD17B10MEN1 | |
| Nonanol SCHEMBL28216768 | 0.76 | LMNA (0.77) | ALDH1A1TSHRLMNAHSD17B10MEN1 | |
| Decanol SCHEMBL28044745 | 0.76 | LMNA (0.77) | ALDH1A1TSHRLMNAHSD17B10MEN1 |
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-110437239-A | Load the metal-organic framework material and preparation method and application of four-(N- methacrylic amine) phthalocyanine compounds | UNIV SHANDONG | 2019-11-12 | — | — | CN | disclosed |