Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | VDR | P11473 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 4/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7354211 | 0.81 | BCHE (0.44) | BCHEACHECA12CYP1A2CYP3A4 | |
| SCHEMBL5324671 | 0.78 | LMNA (0.44) | BCHEACHECA12CYP1A2CYP3A4 | |
| SCHEMBL605141 | 0.78 | PPARG (0.47) | BCHEACHECA12CYP1A2CYP3A4 | |
| SCHEMBL10710616 | 0.72 | BCHE (0.40) | BCHEACHECA12CYP1A2CYP3A4 | |
| SCHEMBL17542438 | 0.72 | VDR (0.46) | BCHEACHECA12CYP1A2CYP3A4 | |
| SCHEMBL2890 | 0.72 | CA9 (0.53) | BCHEACHECA12CYP1A2CYP3A4 | |
| SCHEMBL4453723 | 0.72 | CYP3A4 (0.51) | BCHEACHECA12CYP1A2CYP3A4 | |
| SCHEMBL8187178 | 0.72 | GAA (0.50) | BCHEACHECA12CYP1A2CYP3A4 | |
| SCHEMBL8322191 | 0.72 | GAA (0.50) | BCHEACHECA12CYP1A2CYP3A4 | |
| SCHEMBL8206560 | 0.72 | GAA (0.50) | BCHEACHECA12CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6288297-B1 | REACTION OF ALDEHYDE WITH TRICHLOROACETIC ACID OR TRIBROMOACETIC ACID IN THE PRESENCE OF BASE CATALYST TO FORM HALOGENATED ALCOHOL, ETHERIFICATION IN THE PRESENCE OF COUPLING CATALYST AND ACID SCAVENGER | DUPONT PHARMACEUTICALS COMPANY | 2001-09-11 | — | — | US | disclosed |