Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MDM4 | O15151 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3276086 | 0.83 | L3MBTL1 (0.61) | TSHRATMTDP1L3MBTL1KMT2A | |
| SCHEMBL1694742 | 0.79 | LMNA (0.60) | TSHRRXFP1LMNAL3MBTL1KMT2A | |
| Bromomethane SCHEMBL5883756 | 0.77 | LMNA (0.59) | TSHRRXFP1LMNAL3MBTL1KMT2A | |
| Hydrochloric Acid SCHEMBL5883141 | 0.77 | LMNA (0.58) | TSHRRXFP1LMNAL3MBTL1KMT2A | |
| Methyl Carbamate SCHEMBL11287154 | 0.75 | L3MBTL1 (0.52) | TSHRATMTDP1L3MBTL1KMT2A | |
| SCHEMBL21500508 | 0.73 | L3MBTL1 (0.50) | LMNAATMTDP1L3MBTL1KMT2A | |
| SCHEMBL8595017 | 0.72 | TSHR (0.62) | TSHRRXFP1LMNAKMT2AALDH1A1 | |
| SCHEMBL27719797 | 0.71 | RAB9A (0.55) | LMNAATMTDP1L3MBTL1KMT2A | |
| SCHEMBL29902958 | 0.71 | LMNA (0.51) | TSHRRXFP1LMNAL3MBTL1KMT2A | |
| SCHEMBL9728263 | 0.70 | HCAR2 (0.51) | ATMTDP1L3MBTL1ALDH1A1TP53 |
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-114555610-A | Boronic ester prodrugs and uses thereof | 麻省理工学院 | 2022-05-27 | — | — | CN | disclosed |