Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 4/20 | 0.48 |
| ▸ | CES1 | P23141 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27641543 | 1.00 | TSHR (0.52) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL26712 | 1.00 | TSHR (0.52) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| Benzophenone SCHEMBL28320289 | 0.94 | ALDH1A1 (0.56) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL10942359 | 0.92 | ALDH1A1 (0.54) | TSHRTDP1L3MBTL1ALDH1A1LMNA | |
| SCHEMBL11361276 | 0.88 | ALDH1A1 (0.42) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL7995250 | 0.88 | SMN1; SMN2 (0.53) | L3MBTL1ALDH1A1LMNAHTTMAPT | |
| SCHEMBL16641679 | 0.86 | PGR (0.47) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL2834288 | 0.86 | KMT2A (0.45) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL18153438 | 0.85 | CYP3A4 (0.45) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL11362358 | 0.85 | PARP10 (0.55) | ALDH1A1CES2CES1PGRMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106242967-B | The new technique for synthesizing of methyl benzoylformate | 怀化金鑫新材料有限公司 | 2018-01-16 | — | — | CN | disclosed |
| CN-106242967-A | The new technique for synthesizing of methyl benzoylformate | 怀化金鑫新材料有限公司 | 2016-12-21 | — | — | CN | disclosed |