Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | VDR | P11473 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL637621 | 0.79 | KMT2A (0.48) | ALDH1A1CYP1A2CYP2C19POLBMAPT | |
| SCHEMBL636951 | 0.79 | MAPT (0.47) | ALDH1A1POLBMAPTLMNAHTT | |
| SCHEMBL637578 | 0.77 | LMNA (0.59) | ALDH1A1CYP1A2CYP2C19POLBMAPT | |
| SCHEMBL7053228 | 0.73 | RAB9A (0.56) | ALDH1A1CYP1A2CYP2C19MAPTLMNA | |
| SCHEMBL30117773 | 0.73 | RAB9A (0.56) | ALDH1A1CYP1A2CYP2C19MAPTLMNA | |
| SCHEMBL637547 | 0.72 | ALDH1A1 (0.45) | ALDH1A1CYP1A2POLBMAPTLMNA | |
| SCHEMBL6042690 | 0.72 | LMNA (0.68) | ALDH1A1CYP1A2CYP2C19POLBMAPT | |
| SCHEMBL1995850 | 0.71 | NR1I3 (0.56) | ALDH1A1CYP1A2CYP2C19POLBMAPT | |
| SCHEMBL30264816 | 0.71 | CYP1A2 (0.47) | ALDH1A1CYP1A2CYP2C19POLBMAPT | |
| Hydrochloric Acid SCHEMBL28183130 | 0.71 | LMNA (0.66) | ALDH1A1CYP1A2CYP2C19POLBMAPT |
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-6268514-B1 | TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS | BASF AKTIENGESELLSCHAFT (DE) | 2001-07-31 | — | — | US | disclosed |