Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 3/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29764499 | 1.00 | BCHE (0.59) | BCHESLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL14417370 | 0.89 | BCHE (0.61) | BCHESLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL19700314 | 0.85 | BCHE (0.48) | BCHESLC6A2SLC6A4SLC6A3HSP90AB1 | |
| SCHEMBL5703580 | 0.84 | PYCR1 (0.65) | BCHESLC6A2SLC6A4SLC6A3PYCR1 | |
| SCHEMBL10039139 | 0.84 | CALM1 (0.62) | BCHESLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL17266146 | 0.84 | SLC6A2 (0.55) | BCHESLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL5703545 | 0.82 | ACHE (0.49) | BCHESLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL12049793 | 0.82 | CNR2 (0.64) | CNR2CYP2C19 | |
| SCHEMBL20022001 | 0.82 | CYP1A2 (0.61) | BCHESLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL2442113 | 0.81 | CYP1A2 (0.56) | BCHECYP1A2ACHEHDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004048463-A1 | POLYMERIC COMPOSITIONS RAPIDLY HEATABLE UNDER ELECTROMAGNETIC IRRADIATION, THEIR USES AND PROCESSING METHODS | PARODI FABRIZIO (IT) | 2004-06-10 | — | — | WO | claimed |
| CN-110803995-B | Method for synthesizing tertiary amine derivative through hydroboration reaction of tertiary amide under catalysis of rare earth | 温州医科大学 | 2022-07-08 | — | — | CN | disclosed |
| WO-2004048463-A1 | POLYMERIC COMPOSITIONS RAPIDLY HEATABLE UNDER ELECTROMAGNETIC IRRADIATION, THEIR USES AND PROCESSING METHODS | PARODI FABRIZIO (IT) | 2004-06-10 | — | — | WO | disclosed |