Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL899 | 1.00 | CYP19A1 (0.46) | CYP19A1SMN1; SMN2TSHRALDH1A1MAPT | |
| SCHEMBL8932055 | 0.98 | CYP19A1 (0.44) | CYP19A1SMN1; SMN2TSHRALDH1A1MAPT | |
| SCHEMBL1841101 | 0.98 | SMN1; SMN2 (0.47) | CYP19A1SMN1; SMN2TSHRALDH1A1MAPT | |
| SCHEMBL16830262 | 0.90 | CYP19A1 (0.40) | CYP19A1SMN1; SMN2TSHRALDH1A1MAPT | |
| SCHEMBL588692 | 0.83 | ESR2 (0.44) | CYP19A1SMN1; SMN2TSHRALDH1A1MAPT | |
| SCHEMBL5728797 | 0.82 | CYP19A1 (0.43) | CYP19A1SMN1; SMN2TSHRALDH1A1MAPT | |
| SCHEMBL13863637 | 0.82 | CYP1A1 (0.45) | CYP19A1SMN1; SMN2TSHRALDH1A1MAPT | |
| SCHEMBL30252315 | 0.82 | CYP19A1 (0.43) | CYP19A1SMN1; SMN2TSHRALDH1A1MAPT | |
| SCHEMBL20631601 | 0.81 | ALDH1A1 (0.42) | CYP19A1SMN1; SMN2TSHRALDH1A1MAPT | |
| SCHEMBL28716705 | 0.81 | GLA (0.43) | CYP19A1SMN1; SMN2ALDH1A1SLC6A2SLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115521228-A | BChE and HDAC double-target inhibitor and preparation method and application thereof | 中国药科大学 | 2022-12-27 | — | — | CN | claimed |
| CN-115521228-A | BChE and HDAC double-target inhibitor and preparation method and application thereof | 中国药科大学 | 2022-12-27 | — | — | CN | disclosed |
| CN-114206882-A | Benzothiophene, thienopyridine, and thienopyrimidine derivatives for modulation of STING | CTXT私人有限公司 | 2022-03-18 | — | — | CN | disclosed |